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

Systemtic Name: 1-(4-methylphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,3,4-tetrazole Openeye Name: 5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1-(p-tolyl)tetrazole CAS Name: 1-(4-methylphenyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]tetrazole IUPAC Name: 1-(4-methylphenyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyltetrazole Traditional Name: 5-[(4-mesyl-2-nitro-phenyl)thio]-1-(p-tolyl)tetrazole Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O4S2/c1-10-3-5-11(6-4-10)19-15(16-17-18-19)25-14-8-7-12(26(2,23)24)9-13(14)20(21)22/h3-9H,1-2H3