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

Systemtic Name: 4-[[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[4-ethyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[4-ethyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)NC)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)NC)C3=CC=CC=C3C

InChI

InChI=1S/C22H27N5OS/c1-5-26-20(19-9-7-6-8-16(19)2)24-27(22(26)29)15-25(4)14-17-10-12-18(13-11-17)21(28)23-3/h6-13H,5,14-15H2,1-4H3,(H,23,28)