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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

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