2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: N-(2-isopropylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-o-cumenyl-propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-15(2)18-11-7-8-12-19(18)23-20(27)16(3)29-22-25-24-21(28)26(22)14-13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,23,27)(H,24,28)