3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-2-15-10-6-7-11-21(15)16(23)13-25-18-20-19-17(24)22(18)12-14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13H2,1H3,(H,19,24)/t15-/m0/s1