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

Systemtic Name: 4-butyl-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-butyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-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-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-3-4-12-25-20(27)22-23-21(25)28-16(2)19(26)24-13-10-18(11-14-24)15-17-8-6-5-7-9-17/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,22,27)