methyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: methyl 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]nicotinic acid methyl ester Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C14H11N5O2S/c1-21-13(20)11-8-5-9-15-12(11)22-14-16-17-18-19(14)10-6-3-2-4-7-10/h2-9H,1H3