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

Systemtic Name: 2-chloranyl-N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-3-methyl-butyl]benzamide Openeye Name: 2-chloro-N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-3-methyl-butyl]benzamide CAS Name: 2-chloro-N-[1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide IUPAC Name: 2-chloro-N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-3-methylbutyl]benzamide Traditional Name: 2-chloro-N-[1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-3-methyl-butyl]benzamide Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN4O2S/c1-4-29-22(27-28-24(29)32-15-21(30)17-10-6-5-7-11-17)20(14-16(2)3)26-23(31)18-12-8-9-13-19(18)25/h5-13,16,20H,4,14-15H2,1-3H3,(H,26,31)