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

Systemtic Name: 2-cyano-3-oxidanylidene-N-(phenylmethyl)-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide Openeye Name: N-benzyl-2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide CAS Name: 2-cyano-3-oxo-N-(phenylmethyl)-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide IUPAC Name: N-benzyl-2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide Traditional Name: N-benzyl-2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propionamide Formula: C27H20N4O2S MolecularWeight: 464.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O2S/c28-15-21(27(33)29-16-18-9-3-1-4-10-18)26(32)24-22-17-34-23-14-8-7-13-20(23)25(22)31(30-24)19-11-5-2-6-12-19/h1-14,21H,16-17H2,(H,29,33)