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

Systemtic Name: N-[3-[4-(3-chloranyl-4-methyl-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3-chloro-4-methyl-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-chloro-4-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-chloro-4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3-chloro-4-methyl-phenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O2S/c1-15-10-11-18(13-19(15)23)27-21(9-6-12-24-16(2)28)25-26-22(27)30-14-20(29)17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,24,28)