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

Systemtic Name: N-[2-[4-(4-iodophenyl)-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]ethanamide Openeye Name: N-[2-[4-(4-iodophenyl)-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide CAS Name: N-[2-[4-(4-iodophenyl)-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide IUPAC Name: N-[2-[4-(4-iodophenyl)-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide Traditional Name: N-[2-[4-(4-iodophenyl)-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]acetamide Formula: C20H18IN5O4S MolecularWeight: 551.35749

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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)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCC1=NN=C(N1C2=CC=C(C=C2)I)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18IN5O4S/c1-13(27)22-10-9-19-23-24-20(25(19)16-7-5-15(21)6-8-16)31-12-18(28)14-3-2-4-17(11-14)26(29)30/h2-8,11H,9-10,12H2,1H3,(H,22,27)