ethyl 5-cyano-2-methyl-6-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(1-propyltetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(1-propyl-5-tetrazolyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(1-propyltetrazol-5-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(1-propyltetrazol-5-yl)methylthio]nicotinic acid ethyl ester Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C15H18N6O2S/c1-4-6-21-13(18-19-20-21)9-24-14-11(8-16)7-12(10(3)17-14)15(22)23-5-2/h7H,4-6,9H2,1-3H3