5-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(4-mesyl-2-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C12H12N4O4S2 MolecularWeight: 340.37808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S2/c1-22(19,20)8-4-5-10(9(6-8)16(17)18)21-12-13-11(14-15-12)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)