N-[3-[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[5-phenacylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[5-(phenacylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCCNC(=O)C

InChI

InChI=1S/C22H24N4O2S/c1-16-10-12-19(13-11-16)26-21(9-6-14-23-17(2)27)24-25-22(26)29-15-20(28)18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,23,27)