3-nitro-4-[2-oxidanylidene-2-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)amino]ethyl]thio]-3-nitro-benzamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(N(N=C2C1)C3=CC=CC=C3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(N(N=C2C1)C3=CC=CC=C3)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c22-20(28)13-9-10-18(17(11-13)26(29)30)31-12-19(27)23-21-15-7-4-8-16(15)24-25(21)14-5-2-1-3-6-14/h1-3,5-6,9-11H,4,7-8,12H2,(H2,22,28)(H,23,27)