4-[[4-(phenylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-(phenylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Openeye Name: 4-[[4-benzyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one CAS Name: 4-[[4-(phenylmethyl)-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one IUPAC Name: 4-[[4-benzyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Traditional Name: 4-[[4-benzyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CC=C3)COC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2CC3=CC=CC=C3)COC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H28N6O2S/c32-23-20-11-5-6-12-21(20)24(28-27-23)33-18-22-26-29-25(31(22)17-19-9-3-1-4-10-19)34-16-15-30-13-7-2-8-14-30/h1,3-6,9-12H,2,7-8,13-18H2,(H,27,32)