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

Systemtic Name: N-[2-[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-15(26)22-13-12-20-23-24-21(25(20)17-8-10-18(28-2)11-9-17)29-14-19(27)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,26)