3-nitro-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzamide

Systemtic Name: 3-nitro-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzamide Openeye Name: 3-nitro-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzamide CAS Name: 3-nitro-4-[(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)methyl]benzamide IUPAC Name: 3-nitro-4-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanylmethyl)benzamide Traditional Name: 3-nitro-4-[(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)methyl]benzamide Formula: C16H12N6O3S MolecularWeight: 368.36988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3N2C(=NN3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C(=NN3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O3S/c17-14(23)9-5-6-10(13(7-9)22(24)25)8-26-16-20-19-15-18-11-3-1-2-4-12(11)21(15)16/h1-7H,8H2,(H2,17,23)(H,18,19)