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

Systemtic Name: ethyl 6-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-3-carboxylate CAS Name: 6-[(1-cyclohexyl-5-tetrazolyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-3-carboxylate Traditional Name: 6-[(1-cyclohexyltetrazol-5-yl)thio]nicotinic acid ethyl ester Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C15H19N5O2S/c1-2-22-14(21)11-8-9-13(16-10-11)23-15-17-18-19-20(15)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3