[3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate Openeye Name: [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3-oxo-prop-1-enyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-[(E)-2-cyano-3-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]prop-1-enyl]phenyl] ester Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC(=CC=C3)OC(=O)C4=CC=CS4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC=CS4)/C#N

InChI

InChI=1S/C26H20N4O4S/c1-17-23(25(32)30(29(17)2)20-9-4-3-5-10-20)28-24(31)19(16-27)14-18-8-6-11-21(15-18)34-26(33)22-12-7-13-35-22/h3-15H,1-2H3,(H,28,31)/b19-14+