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

Systemtic Name: ethyl 6-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C18H18N4O2S2/c1-2-24-17(23)12-5-8-16(19-11-12)26-18-21-20-15(22(18)13-6-7-13)10-14-4-3-9-25-14/h3-5,8-9,11,13H,2,6-7,10H2,1H3