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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

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