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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(S1)C=CC(=C3)Cl)N(N=C2C(=O)C(C#N)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=C(S1)C=CC(=C3)Cl)N(N=C2C(=O)C(C#N)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H19ClN4O2S/c28-18-11-12-23-20(13-18)25-22(16-35-23)24(31-32(25)19-9-5-2-6-10-19)26(33)21(14-29)27(34)30-15-17-7-3-1-4-8-17/h1-13,21H,15-16H2,(H,30,34)