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

Systemtic Name: 5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1-(phenylmethyl)-1,2,3,4-tetrazole Openeye Name: 1-benzyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-tetrazole CAS Name: 5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1-(phenylmethyl)tetrazole IUPAC Name: 1-benzyl-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyltetrazole Traditional Name: 1-benzyl-5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]tetrazole Formula: C18H18N6O4S2 MolecularWeight: 446.50332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S2/c25-24(26)16-12-15(30(27,28)22-10-4-5-11-22)8-9-17(16)29-18-19-20-21-23(18)13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2