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

Systemtic Name: 4-tert-butyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N4OS/c1-14-6-5-7-17(12-14)25-18(23-24-20(25)27)13-22-19(26)15-8-10-16(11-9-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,26)(H,24,27)