1-(4-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone CAS Name: 1-(4-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-nitrophenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone Formula: C16H13N4O3S+ MolecularWeight: 341.36442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-15(12-6-8-14(9-7-12)20(22)23)10-24-16-17-11-18-19(16)13-4-2-1-3-5-13/h1-9,11H,10H2/p+1