methyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 5-nitro-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-benzoate CAS Name: 2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-[[1-(p-tolyl)tetrazol-5-yl]thio]benzoic acid methyl ester Formula: C16H13N5O4S MolecularWeight: 371.37052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O4S/c1-10-3-5-11(6-4-10)20-16(17-18-19-20)26-14-8-7-12(21(23)24)9-13(14)15(22)25-2/h3-9H,1-2H3