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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylmethoxypiperidin-1-yl)ethanone Openeye Name: 1-(4-benzyloxy-1-piperidyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylmethoxy-1-piperidinyl)ethanone IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylmethoxypiperidin-1-yl)ethanone Traditional Name: 1-(4-benzoxypiperidino)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-29-19-9-7-18(8-10-19)22-24-25-23(31)27(22)15-21(28)26-13-11-20(12-14-26)30-16-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,25,31)