(4-methylsulfonyl-2-nitro-phenyl)-(1,2,4-triazol-1-yl)methanone

Systemtic Name: (4-methylsulfonyl-2-nitro-phenyl)-(1,2,4-triazol-1-yl)methanone Openeye Name: (4-methylsulfonyl-2-nitro-phenyl)-(1,2,4-triazol-1-yl)methanone CAS Name: (4-methylsulfonyl-2-nitrophenyl)-(1,2,4-triazol-1-yl)methanone IUPAC Name: (4-methylsulfonyl-2-nitrophenyl)-(1,2,4-triazol-1-yl)methanone Traditional Name: (4-mesyl-2-nitro-phenyl)-(1,2,4-triazol-1-yl)methanone Formula: C10H8N4O5S MolecularWeight: 296.25932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5S/c1-20(18,19)7-2-3-8(9(4-7)14(16)17)10(15)13-6-11-5-12-13/h2-6H,1H3