6-isothiocyanato-2-(4-methylphenyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-isothiocyanato-2-(4-methylphenyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-isothiocyanato-2-(p-tolyl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-isothiocyanato-2-(4-methylphenyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-isothiocyanato-2-(4-methylphenyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-isothiocyanato-2-(p-tolyl)benzo[de]isoquinoline-1,3-quinone Formula: C20H12N2O2S MolecularWeight: 344.38648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N=C=S)C=CC=C4C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N=C=S)C=CC=C4C2=O

InChI

InChI=1S/C20H12N2O2S/c1-12-5-7-13(8-6-12)22-19(23)15-4-2-3-14-17(21-11-25)10-9-16(18(14)15)20(22)24/h2-10H,1H3