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

Systemtic Name: 3-methyl-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 3-methyl-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 3-methyl-N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 3-methyl-N-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-18-9-8-12-20(15-18)24(31)26-16-23-27-28-25(29(23)21-13-6-3-7-14-21)32-17-22(30)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3,(H,26,31)