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

Systemtic Name: N-[3-[4-(4-iodophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(4-iodophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(4-iodophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(4-iodophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(4-iodophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propyl]acetamide Formula: C21H21IN4O2S MolecularWeight: 520.38651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21IN4O2S/c1-15(27)23-13-5-8-20-24-25-21(26(20)18-11-9-17(22)10-12-18)29-14-19(28)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,23,27)