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

Systemtic Name: 2-cyano-3-[1-(3-nitrophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxidanylidene-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-cyano-3-[1-(3-nitrophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-propanamide CAS Name: 2-cyano-3-[1-(3-nitrophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxo-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-cyano-3-[1-(3-nitrophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]-3-oxopropanamide Traditional Name: N-benzyl-2-cyano-3-keto-3-[1-(3-nitrophenyl)-4H-thiochromeno[4,3-c]pyrazol-3-yl]propionamide Formula: C27H19N5O4S MolecularWeight: 509.53586

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C27H19N5O4S/c28-14-21(27(34)29-15-17-7-2-1-3-8-17)26(33)24-22-16-37-23-12-5-4-11-20(23)25(22)31(30-24)18-9-6-10-19(13-18)32(35)36/h1-13,21H,15-16H2,(H,29,34)