2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CCCOC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CCCOC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-9-6-7-12-18(16)22-19(26)15-28-21-24-23-20(17-10-4-3-5-11-17)25(21)13-8-14-27-2/h3-7,9-12H,8,13-15H2,1-2H3,(H,22,26)