3-nitro-4-[2-oxidanylidene-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C16H13N7O4S MolecularWeight: 399.38392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)NC2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)NC2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H13N7O4S/c17-16(25)10-1-3-13(12(5-10)23(26)27)28-7-15(24)21-11-2-4-14(19-6-11)22-9-18-8-20-22/h1-6,8-9H,7H2,(H2,17,25)(H,21,24)