2,4-dimethyl-4-(1-sulfanylpropyl)isoquinoline-1,3-dione

Systemtic Name: 2,4-dimethyl-4-(1-sulfanylpropyl)isoquinoline-1,3-dione Openeye Name: 2,4-dimethyl-4-(1-sulfanylpropyl)isoquinoline-1,3-dione CAS Name: 4-(1-mercaptopropyl)-2,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2,4-dimethyl-4-(1-sulfanylpropyl)isoquinoline-1,3-dione Traditional Name: 4-(1-mercaptopropyl)-2,4-dimethyl-isoquinoline-1,3-quinone Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(C2=CC=CC=C2C(=O)N(C1=O)C)C)S

Isomeric SMILES

CCC(C1(C2=CC=CC=C2C(=O)N(C1=O)C)C)S

InChI

InChI=1S/C14H17NO2S/c1-4-11(18)14(2)10-8-6-5-7-9(10)12(16)15(3)13(14)17/h5-8,11,18H,4H2,1-3H3