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

Systemtic Name: 2-cyano-N-[4-(hydroxymethyl)-3-oxidanyl-phenyl]-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide Openeye Name: 2-cyano-N-[3-hydroxy-4-(hydroxymethyl)phenyl]-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide CAS Name: 2-cyano-N-[3-hydroxy-4-(hydroxymethyl)phenyl]-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide IUPAC Name: 2-cyano-N-[3-hydroxy-4-(hydroxymethyl)phenyl]-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanamide Traditional Name: 2-cyano-N-(3-hydroxy-4-methylol-phenyl)-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propionamide Formula: C27H20N4O4S MolecularWeight: 496.5371

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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)NC4=CC(=C(C=C4)CO)O)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NC4=CC(=C(C=C4)CO)O)C5=CC=CC=C5

InChI

InChI=1S/C27H20N4O4S/c28-13-20(27(35)29-17-11-10-16(14-32)22(33)12-17)26(34)24-21-15-36-23-9-5-4-8-19(23)25(21)31(30-24)18-6-2-1-3-7-18/h1-12,20,32-33H,14-15H2,(H,29,35)