4-[[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(C)CC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(C)CC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C21H25N5OS/c1-4-15-5-9-17(10-6-15)19-23-21(28)26(24-19)14-25(3)13-16-7-11-18(12-8-16)20(27)22-2/h5-12H,4,13-14H2,1-3H3,(H,22,27)(H,23,24,28)