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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-homoveratryl-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C20H24N4O3S2/c1-23(10-8-14-6-7-15(26-2)16(13-14)27-3)18(25)9-11-24-19(21-22-20(24)28)17-5-4-12-29-17/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)