4-cyclopropyl-3-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C20H26N4O2S/c1-14(27-20-22-21-19(26)24(20)17-7-8-17)18(25)23-11-9-16(10-12-23)13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,21,26)