3-(2,5-dimethylphenyl)-2-ethyl-isoquinoline-1-thione

Systemtic Name: 3-(2,5-dimethylphenyl)-2-ethyl-isoquinoline-1-thione Openeye Name: 3-(2,5-dimethylphenyl)-2-ethyl-isoquinoline-1-thione CAS Name: 3-(2,5-dimethylphenyl)-2-ethyl-1-isoquinolinethione IUPAC Name: 3-(2,5-dimethylphenyl)-2-ethylisoquinoline-1-thione Traditional Name: 3-(2,5-dimethylphenyl)-2-ethyl-isoquinoline-1-thione Formula: C19H19NS MolecularWeight: 293.42586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=C2C1=S)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1C(=CC2=CC=CC=C2C1=S)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H19NS/c1-4-20-18(17-11-13(2)9-10-14(17)3)12-15-7-5-6-8-16(15)19(20)21/h5-12H,4H2,1-3H3