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

Systemtic Name: ethyl 6-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2S/c1-2-25-17(24)13-3-6-15(20-11-13)26-18-22-21-16(23(18)14-4-5-14)12-7-9-19-10-8-12/h3,6-11,14H,2,4-5H2,1H3