4-chloranyl-N-[1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Openeye Name: 4-chloro-N-[1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide CAS Name: 4-chloro-N-[1-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 4-chloro-N-[1-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: 4-chloro-N-[1-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-13(22-19(27)15-8-10-16(21)11-9-15)18-23-24-20(25(18)2)28-12-17(26)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,22,27)