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

Systemtic Name: ethyl 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate CAS Name: 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]nicotinic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3CC3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3CC3)C(C)C

InChI

InChI=1S/C16H20N4O2S/c1-4-22-15(21)11-5-8-13(17-9-11)23-16-19-18-14(10(2)3)20(16)12-6-7-12/h5,8-10,12H,4,6-7H2,1-3H3