N-[3-[4-[3,5-bis(chloranyl)phenyl]-5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide

Systemtic Name: N-[3-[4-[3,5-bis(chloranyl)phenyl]-5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]ethanamide Openeye Name: N-[3-[4-(3,5-dichlorophenyl)-5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide CAS Name: N-[3-[4-(3,5-dichlorophenyl)-5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide IUPAC Name: N-[3-[4-(3,5-dichlorophenyl)-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]acetamide Traditional Name: N-[3-[4-(3,5-dichlorophenyl)-5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]acetamide Formula: C21H19Cl2N5O4S MolecularWeight: 508.37766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC(=C2)Cl)Cl)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCCC1=NN=C(N1C2=CC(=CC(=C2)Cl)Cl)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19Cl2N5O4S/c1-13(29)24-8-2-3-20-25-26-21(27(20)18-10-15(22)9-16(23)11-18)33-12-19(30)14-4-6-17(7-5-14)28(31)32/h4-7,9-11H,2-3,8,12H2,1H3,(H,24,29)