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

Systemtic Name: N-[2-[4-(3-chloranyl-4-methoxy-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(3-chloro-4-methoxy-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(3-chloro-4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(3-chloro-4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(3-chloro-4-methoxy-phenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC(=C(C=C2)OC)Cl)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O3S/c1-14(27)23-11-10-20-24-25-21(30-13-18(28)15-6-4-3-5-7-15)26(20)16-8-9-19(29-2)17(22)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)