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

Systemtic Name: 3-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-3-17-11-7-8-13-23(17)18(25)15(2)27-20-22-21-19(26)24(20)14-12-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3,(H,21,26)