1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C10H8N4O3S MolecularWeight: 264.26052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NC=NN2

InChI

InChI=1S/C10H8N4O3S/c15-9(5-18-10-11-6-12-13-10)7-2-1-3-8(4-7)14(16)17/h1-4,6H,5H2,(H,11,12,13)