(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C15H13N5O2S/c1-23-14-12(8-5-9-16-14)15(21)22-10-13-17-18-19-20(13)11-6-3-2-4-7-11/h2-9H,10H2,1H3