N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethyl-benzamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H26N4OS/c1-5-16-8-7-9-17(6-2)20(16)26-19(24-25-22(26)28)13-23-21(27)18-11-10-14(3)15(4)12-18/h7-12H,5-6,13H2,1-4H3,(H,23,27)(H,25,28)