(2,6-dimethylphenyl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: (2,6-dimethylphenyl) 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C

InChI

InChI=1S/C17H15N5O4S/c1-10-5-4-6-11(2)15(10)26-16(23)13-9-12(22(24)25)7-8-14(13)27-17-18-19-20-21(17)3/h4-9H,1-3H3