2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4OS/c1-3-15-26-21(19-12-8-7-9-17(19)2)24-25-22(26)28-16-20(27)23-14-13-18-10-5-4-6-11-18/h3-12H,1,13-16H2,2H3,(H,23,27)