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

Systemtic Name: 4-[[5-(2-piperidin-1-ylethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Openeye Name: 4-[[4-allyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one CAS Name: 4-[[5-[2-(1-piperidinyl)ethylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one IUPAC Name: 4-[[5-(2-piperidin-1-ylethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Traditional Name: 4-[[4-allyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCN2CCCCC2)COC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C=CCN1C(=NN=C1SCCN2CCCCC2)COC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H26N6O2S/c1-2-10-27-18(22-25-21(27)30-14-13-26-11-6-3-7-12-26)15-29-20-17-9-5-4-8-16(17)19(28)23-24-20/h2,4-5,8-9H,1,3,6-7,10-15H2,(H,23,28)