3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O2S/c1-14-7-6-8-15(2)23(14)17(24)13-26-19-21-20-18(25)22(19)12-11-16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H,20,25)