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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H18N6O4S2/c1-13-4-6-14(7-5-13)23-18(19-20-21-23)29-16-9-8-15(24(25)26)12-17(16)30(27,28)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3