(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C18H19N5O2S/c1-3-11-23-16(20-21-22-23)12-25-18(24)15-5-4-10-19-17(15)26-14-8-6-13(2)7-9-14/h4-10H,3,11-12H2,1-2H3