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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(2-phenyltriazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(2-phenyl-4-triazolyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2-phenyltriazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(2-phenyltriazol-4-yl)methylthio]nicotinic acid ethyl ester Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H17N5O2S/c1-3-26-19(25)17-9-14(10-20)18(22-13(17)2)27-12-15-11-21-24(23-15)16-7-5-4-6-8-16/h4-9,11H,3,12H2,1-2H3