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

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-13(2)16-11-7-8-14(3)18(16)21-17(25)12-26-20-22-19(23-24-20)15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23,24)