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

Systemtic Name: 2-cyano-N-[1-(3-methylphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxidanylidene-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-cyano-N-[1-(m-tolyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-propanamide CAS Name: 2-cyano-N-[1-(3-methylphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-cyano-N-[1-(3-methylphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxopropanamide Traditional Name: N-benzyl-2-cyano-3-keto-N-[1-(m-tolyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]propionamide Formula: C28H22N4O2S MolecularWeight: 478.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(CSC4=CC=CC=C43)C(=N2)N(CC5=CC=CC=C5)C(=O)C(C=O)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(CSC4=CC=CC=C43)C(=N2)N(CC5=CC=CC=C5)C(=O)C(C=O)C#N

InChI

InChI=1S/C28H22N4O2S/c1-19-8-7-11-22(14-19)32-26-23-12-5-6-13-25(23)35-18-24(26)27(30-32)31(28(34)21(15-29)17-33)16-20-9-3-2-4-10-20/h2-14,17,21H,16,18H2,1H3