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

Systemtic Name: 4-[[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C20H24N6OS MolecularWeight: 396.50916

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6OS/c1-4-25-18(16-9-11-22-12-10-16)23-26(20(25)28)14-24(3)13-15-5-7-17(8-6-15)19(27)21-2/h5-12H,4,13-14H2,1-3H3,(H,21,27)