4-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[[5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[5-[(3,3-dimethyl-2-oxobutyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[[5-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methylphthalazin-1-one Traditional Name: 4-[[5-[(2-keto-3,3-dimethyl-butyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-phthalazin-1-one Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H23N5O2S/c1-19(2,3)15(25)11-27-18-21-20-16(23(18)4)10-14-12-8-6-7-9-13(12)17(26)24(5)22-14/h6-9H,10-11H2,1-5H3