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

Systemtic Name: 2-chloranyl-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 2-chloro-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 2-chloro-N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-chloro-N-[(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 2-chloro-N-[[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-2-25-18(12-22-19(27)15-10-6-7-11-16(15)21)23-24-20(25)28-13-17(26)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,22,27)