2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[5-(3-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-(3-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCO

InChI

InChI=1S/C22H26N4O2S/c1-16(2)17-10-12-18(13-11-17)23-21(28)15-29-22-25-24-20(9-6-14-27)26(22)19-7-4-3-5-8-19/h3-5,7-8,10-13,16,27H,6,9,14-15H2,1-2H3,(H,23,28)