N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H20N6OS2 MolecularWeight: 388.5103

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H20N6OS2/c1-22(2)15-12(5-3-8-18-15)11-19-14(24)7-9-23-16(20-21-17(23)25)13-6-4-10-26-13/h3-6,8,10H,7,9,11H2,1-2H3,(H,19,24)(H,21,25)