3-nitro-4-[2-oxidanylidene-2-[(2-pyrazol-1-ylpyridin-3-yl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(2-pyrazol-1-ylpyridin-3-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridyl)amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[2-(1-pyrazolyl)-3-pyridinyl]amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(2-pyrazol-1-ylpyridin-3-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[(2-pyrazol-1-yl-3-pyridyl)amino]ethyl]thio]-3-nitro-benzamide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)N2C=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4S/c18-16(25)11-4-5-14(13(9-11)23(26)27)28-10-15(24)21-12-3-1-6-19-17(12)22-8-2-7-20-22/h1-9H,10H2,(H2,18,25)(H,21,24)