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

Systemtic Name: N-[3-[4-(3-chloranyl-4-methoxy-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3-chloro-4-methoxy-phenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3-chloro-4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3-chloro-4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3-chloro-4-methoxy-phenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3S/c1-15(28)24-12-6-9-21-25-26-22(31-14-19(29)16-7-4-3-5-8-16)27(21)17-10-11-20(30-2)18(23)13-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,24,28)