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

Systemtic Name: ethyl 6-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-(1-benzyltetrazol-5-yl)sulfanylpyridine-3-carboxylate CAS Name: 6-[[1-(phenylmethyl)-5-tetrazolyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1-benzyltetrazol-5-yl)sulfanylpyridine-3-carboxylate Traditional Name: 6-[(1-benzyltetrazol-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=NN2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2CC3=CC=CC=C3

InChI

InChI=1S/C16H15N5O2S/c1-2-23-15(22)13-8-9-14(17-10-13)24-16-18-19-20-21(16)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3