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

Systemtic Name: 3-methyl-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3-methyl-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3-methyl-N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3-methyl-N-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-14-7-6-10-16(11-14)19(26)21-12-18-22-23-20(24(18)2)27-13-17(25)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H,21,26)