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

Systemtic Name: 5-cyclopentyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopentyl-3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopentyl-3-[(4-methylsulfonyl-2-nitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopentyl-3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopentyl-3-[(4-mesyl-2-nitro-phenyl)thio]-1H-1,2,4-triazole Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S2/c1-24(21,22)10-6-7-12(11(8-10)18(19)20)23-14-15-13(16-17-14)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16,17)