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

Systemtic Name: 2-cyano-N-[1-(3-methoxyphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxidanylidene-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-cyano-N-[1-(3-methoxyphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-propanamide CAS Name: 2-cyano-N-[1-(3-methoxyphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-cyano-N-[1-(3-methoxyphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxopropanamide Traditional Name: N-benzyl-2-cyano-3-keto-N-[1-(3-methoxyphenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]propionamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C28H22N4O3S/c1-35-22-11-7-10-21(14-22)32-26-23-12-5-6-13-25(23)36-18-24(26)27(30-32)31(28(34)20(15-29)17-33)16-19-8-3-2-4-9-19/h2-14,17,20H,16,18H2,1H3