CHEBI:121903 - thiocyanic acid [3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester

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ChEBI Name thiocyanic acid [3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester ChEBI ID CHEBI:121903 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H18N4O2S Net Charge 0 Average Mass 378.449 Monoisotopic Mass 378.11505 InChI InChI=1S/C20H18N4O2S/c1-13-4-6-15(7-5-13)24-20(25)17(14(2)23-24)11-22-18-9-8-16(27-12-21)10-19(18)26-3/h4-11,22H,1-3H3 InChIKey YKFINYHQBZIUEB-UHFFFAOYSA-N SMILES CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)OC)C(=N2)C Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing thiocyanic acid [3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester (CHEBI:121903) is a aromatic ether (CHEBI:35618) thiocyanic acid [3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester (CHEBI:121903) is a substituted aniline (CHEBI:48975) Manual Xref Database LSM-33346 LINCS View more database links