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

Systemtic Name: ethyl 6-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C)CC3=CC=CS3

InChI

InChI=1S/C16H16N4O2S2/c1-3-22-15(21)11-6-7-14(17-10-11)24-16-19-18-13(20(16)2)9-12-5-4-8-23-12/h4-8,10H,3,9H2,1-2H3