3-nitro-4-[2-oxidanylidene-2-[[2-(phenylmethyl)pyrazol-3-yl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[2-(phenylmethyl)pyrazol-3-yl]amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-[(2-benzylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[2-(phenylmethyl)-3-pyrazolyl]amino]ethyl]thio]benzamide IUPAC Name: 4-[2-[(2-benzylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(2-benzylpyrazol-3-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S/c20-19(26)14-6-7-16(15(10-14)24(27)28)29-12-18(25)22-17-8-9-21-23(17)11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H2,20,26)(H,22,25)