N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[1-(3,4-dipropoxyphenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)OCCC

InChI

InChI=1S/C22H28N4O3S2/c1-4-10-28-17-9-8-16(13-18(17)29-11-5-2)15(3)23-20(27)14-26-21(24-25-22(26)30)19-7-6-12-31-19/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H,23,27)(H,25,30)