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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-15(2)19(23-21(28)17-12-8-5-9-13-17)20-24-25-22(26(20)3)29-14-18(27)16-10-6-4-7-11-16/h4-13,15,19H,14H2,1-3H3,(H,23,28)