ethyl 6-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]nicotinic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4O2S/c1-3-24-17(23)15-9-10-16(19-11-15)25-18-21-20-13(2)22(18)12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3