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

Systemtic Name: N-[2-[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[5-phenacylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[5-(phenacylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCNC(=O)C

InChI

InChI=1S/C21H22N4O2S/c1-15-8-10-18(11-9-15)25-20(12-13-22-16(2)26)23-24-21(25)28-14-19(27)17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,26)