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

Systemtic Name: N-[3-[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-16(27)23-14-6-9-21-24-25-22(26(21)18-10-12-19(29-2)13-11-18)30-15-20(28)17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,23,27)