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

Systemtic Name: ethyl 6-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine-3-carboxylate CAS Name: 6-[[1-(2-oxolanylmethyl)-5-tetrazolyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[1-(tetrahydrofurfuryl)tetrazol-5-yl]thio]nicotinic acid ethyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2CC3CCCO3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2CC3CCCO3

InChI

InChI=1S/C14H17N5O3S/c1-2-21-13(20)10-5-6-12(15-8-10)23-14-16-17-18-19(14)9-11-4-3-7-22-11/h5-6,8,11H,2-4,7,9H2,1H3