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

Systemtic Name: 2-chloranyl-N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Openeye Name: 2-chloro-N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide CAS Name: 2-chloro-N-[1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-chloro-N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]benzamide Traditional Name: 2-chloro-N-[1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-3-26-19(14(2)23-20(28)16-11-7-8-12-17(16)22)24-25-21(26)29-13-18(27)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,28)