2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-(phenylmethyl)phthalazin-1-one

Systemtic Name: 2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-(phenylmethyl)phthalazin-1-one Openeye Name: 4-benzyl-2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-benzyl-2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C32H25N5O2S MolecularWeight: 543.6382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H25N5O2S/c38-29(24-14-6-2-7-15-24)22-40-32-34-33-30(37(32)25-16-8-3-9-17-25)21-36-31(39)27-19-11-10-18-26(27)28(35-36)20-23-12-4-1-5-13-23/h1-19H,20-22H2