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

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(4-p-phenetylsulfonylpiperazino)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C19H27N5O4S2 MolecularWeight: 453.57878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C19H27N5O4S2/c1-3-5-17-20-21-19(29)24(17)14-18(25)22-10-12-23(13-11-22)30(26,27)16-8-6-15(7-9-16)28-4-2/h6-9H,3-5,10-14H2,1-2H3,(H,21,29)