2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-29-19-10-8-17(9-11-19)21-23-24-22(30)27(21)16-20(28)26-14-12-25(13-15-26)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,24,30)