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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C#N)C(=O)C2=NN(C3=C2CSC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C#N)C(=O)C2=NN(C3=C2CSC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

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