3-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-keto-1-methyl-2-(4-methylpiperidino)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:

CC1CCN(CC1)C(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2S/c1-14-8-11-22(12-9-14)17(24)15(2)26-19-21-20-18(25)23(19)13-10-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,20,25)/t15-/m0/s1