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

Systemtic Name: prop-2-enyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: allyl 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-3-pyridinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]nicotinic acid allyl ester Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O2S/c1-2-11-23-15(22)13-9-6-10-17-14(13)24-16-18-19-20-21(16)12-7-4-3-5-8-12/h2-10H,1,11H2