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

Systemtic Name: 3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-2-piperidino-ethyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S/c22-15(20-10-5-2-6-11-20)13-24-17-19-18-16(23)21(17)12-9-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,23)