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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H15N7O4S MolecularWeight: 437.4319

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O4S/c1-24-19(21-22-23-24)31-17-8-5-14(11-16(17)26(28)29)18(27)30-12-13-3-6-15(7-4-13)25-10-2-9-20-25/h2-11H,12H2,1H3