N-(3-chlorophenyl)-2-cyano-3-(8-methyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-propanamide

Systemtic Name: N-(3-chlorophenyl)-2-cyano-3-(8-methyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxidanylidene-propanamide Openeye Name: N-(3-chlorophenyl)-2-cyano-3-(8-methyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxo-propanamide CAS Name: N-(3-chlorophenyl)-2-cyano-3-(8-methyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanamide IUPAC Name: N-(3-chlorophenyl)-2-cyano-3-(8-methyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)-3-oxopropanamide Traditional Name: N-(3-chlorophenyl)-2-cyano-3-keto-3-(8-methyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propionamide Formula: C27H19ClN4O2S MolecularWeight: 498.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H19ClN4O2S/c1-16-10-11-23-20(12-16)25-22(15-35-23)24(31-32(25)19-8-3-2-4-9-19)26(33)21(14-29)27(34)30-18-7-5-6-17(28)13-18/h2-13,21H,15H2,1H3,(H,30,34)