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

Systemtic Name: N-[3-[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC=C2)Cl)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O2S/c1-15(27)23-12-6-11-20-24-25-21(26(20)18-10-5-9-17(22)13-18)29-14-19(28)16-7-3-2-4-8-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,27)