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

Systemtic Name: N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-benzamide Openeye Name: N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-benzamide CAS Name: N-[1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzamide IUPAC Name: N-[1-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-2-methylbenzamide Traditional Name: N-[1-[4-ethyl-5-(phenacylthio)-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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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=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C(C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H24N4O2S/c1-4-26-20(16(3)23-21(28)18-13-9-8-10-15(18)2)24-25-22(26)29-14-19(27)17-11-6-5-7-12-17/h5-13,16H,4,14H2,1-3H3,(H,23,28)