2-cyano-3-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)amino]-N-phenyl-prop-2-enamide

Systemtic Name: 2-cyano-3-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-[(4-methylphenyl)amino]-N-phenyl-prop-2-enamide Openeye Name: 2-cyano-3-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-3-(4-methylanilino)-N-phenyl-prop-2-enamide CAS Name: 2-cyano-3-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-3-(4-methylanilino)-N-phenyl-2-propenamide IUPAC Name: 2-cyano-3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-3-(4-methylanilino)-N-phenylprop-2-enamide Traditional Name: 2-cyano-3-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]-N-phenyl-3-(p-toluidino)acrylamide Formula: C30H28N6O3S MolecularWeight: 552.64672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C#N)C(=O)NC2=CC=CC=C2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C#N)C(=O)NC2=CC=CC=C2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C30H28N6O3S/c1-20-14-16-23(17-15-20)33-29(25(18-31)28(38)32-22-10-6-4-7-11-22)40-19-26(37)34-27-21(2)35(3)36(30(27)39)24-12-8-5-9-13-24/h4-17,33H,19H2,1-3H3,(H,32,38)(H,34,37)