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

Systemtic Name: ethyl 6-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C17H16N4O2S2/c1-2-23-16(22)11-5-8-14(18-10-11)25-17-20-19-15(13-4-3-9-24-13)21(17)12-6-7-12/h3-5,8-10,12H,2,6-7H2,1H3