3,4-bis(chloranyl)-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3,4-dichloro-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3,4-dichloro-N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dichloro-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3,4-dichloro-N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H18Cl2N4O2S MolecularWeight: 449.35352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N4O2S/c1-2-26-18(11-23-19(28)14-8-9-15(21)16(22)10-14)24-25-20(26)29-12-17(27)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,23,28)