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

Systemtic Name: 5-cyclopentyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopentyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopentyl-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopentyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopentyl-3-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1H-1,2,4-triazole Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S2/c23-22(24)14-11-13(28(25,26)21-9-3-4-10-21)7-8-15(14)27-17-18-16(19-20-17)12-5-1-2-6-12/h7-8,11-12H,1-6,9-10H2,(H,18,19,20)