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

Systemtic Name: ethyl 6-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpyridine-3-carboxylate CAS Name: 6-[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[(1-o-phenetyltetrazol-5-yl)thio]nicotinic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=NC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SC3=NC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C17H17N5O3S/c1-3-24-14-8-6-5-7-13(14)22-17(19-20-21-22)26-15-10-9-12(11-18-15)16(23)25-4-2/h5-11H,3-4H2,1-2H3