3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperidyl)propan-1-one CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperidinyl)-1-propanone IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperidino)propan-1-one Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-9-7-19(8-10-20)22-24-25-23(30)27(22)16-13-21(28)26-14-11-18(12-15-26)17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,25,30)