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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)C

InChI

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