3-azanyl-4-cyano-5-[(4-methylphenyl)amino]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide

Systemtic Name: 3-azanyl-4-cyano-5-[(4-methylphenyl)amino]-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide Openeye Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide CAS Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide IUPAC Name: 3-amino-4-cyano-5-(4-methylanilino)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide Traditional Name: 3-amino-4-cyano-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)-5-(p-toluidino)thiophene-2-carboxamide Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C22H18N6O2S/c1-13-7-9-14(10-8-13)25-22-16(12-23)19(24)20(31-22)21(30)26-17-11-18(29)28(27-17)15-5-3-2-4-6-15/h2-11,25,27H,24H2,1H3,(H,26,30)