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

Systemtic Name: N-[2-[4-(4-iodophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-iodophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-iodophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-iodophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(4-iodophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C20H19IN4O2S MolecularWeight: 506.35993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19IN4O2S/c1-14(26)22-12-11-19-23-24-20(25(19)17-9-7-16(21)8-10-17)28-13-18(27)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,26)