N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H21BrN4O3S2 MolecularWeight: 497.42904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)Br)OC

InChI

InChI=1S/C19H21BrN4O3S2/c1-26-14-10-12(13(20)11-15(14)27-2)5-7-21-17(25)6-8-24-18(22-23-19(24)28)16-4-3-9-29-16/h3-4,9-11H,5-8H2,1-2H3,(H,21,25)(H,23,28)