1-cyclohexyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-cyclohexyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,3,4-tetrazole Openeye Name: 1-cyclohexyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-tetrazole CAS Name: 1-cyclohexyl-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]tetrazole IUPAC Name: 1-cyclohexyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyltetrazole Traditional Name: 1-cyclohexyl-5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]tetrazole Formula: C17H22N6O4S2 MolecularWeight: 438.52438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S2/c24-23(25)15-12-14(29(26,27)21-10-4-5-11-21)8-9-16(15)28-17-18-19-20-22(17)13-6-2-1-3-7-13/h8-9,12-13H,1-7,10-11H2