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

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C23H28N4OS MolecularWeight: 408.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H28N4OS/c1-5-17-11-9-12-18(6-2)21(17)27-20(25-26-23(27)29-7-3)15-24-22(28)19-13-8-10-16(4)14-19/h8-14H,5-7,15H2,1-4H3,(H,24,28)