N-(3-phenylmethoxypropyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(3-phenylmethoxypropyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(3-phenylmethoxypropyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(3-phenylmethoxypropyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S2/c23-16(19-9-5-10-24-13-14-6-2-1-3-7-14)12-22-17(20-21-18(22)25)15-8-4-11-26-15/h1-4,6-8,11H,5,9-10,12-13H2,(H,19,23)(H,21,25)