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

Systemtic Name: 2-methyl-4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-methyl-4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-methyl-4-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H19N5O2S/c1-25-19(12-17-15-10-6-7-11-16(15)20(28)26(2)24-17)22-23-21(25)29-13-18(27)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3