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

Systemtic Name: 4-tert-butyl-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(m-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(3-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(m-tolyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H30N4O2S/c1-20-9-8-12-24(17-20)33-26(18-30-27(35)22-13-15-23(16-14-22)29(2,3)4)31-32-28(33)36-19-25(34)21-10-6-5-7-11-21/h5-17H,18-19H2,1-4H3,(H,30,35)