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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid (1-propyltetrazol-5-yl)methyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-4-10-24-17(21-22-23-24)12-26-19(25)16-6-5-9-20-18(16)27-15-8-7-13(2)14(3)11-15/h5-9,11H,4,10,12H2,1-3H3