2,4,4-trimethyl-1-sulfanylidene-isoquinolin-3-one

Systemtic Name: 2,4,4-trimethyl-1-sulfanylidene-isoquinolin-3-one Openeye Name: 2,4,4-trimethyl-1-thioxo-isoquinolin-3-one CAS Name: 2,4,4-trimethyl-1-sulfanylidene-3-isoquinolinone IUPAC Name: 2,4,4-trimethyl-1-sulfanylideneisoquinolin-3-one Traditional Name: 2,4,4-trimethyl-1-thioxo-3-isoquinolone Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=S)N(C1=O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=S)N(C1=O)C)C

InChI

InChI=1S/C12H13NOS/c1-12(2)9-7-5-4-6-8(9)10(15)13(3)11(12)14/h4-7H,1-3H3