ethyl 6-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[1-(p-tolyl)tetrazol-5-yl]sulfanylpyridine-3-carboxylate CAS Name: 6-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[1-(p-tolyl)tetrazol-5-yl]thio]nicotinic acid ethyl ester Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2C3=CC=C(C=C3)C

InChI

InChI=1S/C16H15N5O2S/c1-3-23-15(22)12-6-9-14(17-10-12)24-16-18-19-20-21(16)13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3