1-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O3S/c1-6(15)7-2-3-9(8(4-7)14(16)17)18-10-11-5-12-13-10/h2-5H,1H3,(H,11,12,13)