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

Systemtic Name: N-[3-[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(m-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(m-tolyl)-5-(phenacylthio)-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(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCCNC(=O)C

Isomeric SMILES

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

InChI

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