N-(2-methyl-6-propan-2-yl-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5OS/c1-12(2)15-6-4-5-13(3)17(15)21-16(25)11-26-19-22-18(23-24-19)14-7-9-20-10-8-14/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,23,24)