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

Systemtic Name: ethyl 6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C16H15N5O2S/c1-3-23-15(22)12-4-5-13(18-10-12)24-16-20-19-14(21(16)2)11-6-8-17-9-7-11/h4-10H,3H2,1-2H3