[2-(3-bromophenyl)quinolin-4-yl]-isothiocyanato-methanone

Systemtic Name: [2-(3-bromophenyl)quinolin-4-yl]-isothiocyanato-methanone Openeye Name: 2-(3-bromophenyl)quinoline-4-carbonyl isothiocyanate CAS Name: [2-(3-bromophenyl)-4-quinolinyl]-isothiocyanatomethanone IUPAC Name: 2-(3-bromophenyl)quinoline-4-carbonyl isothiocyanate Traditional Name: [2-(3-bromophenyl)-4-quinolyl]-isothiocyanato-methanone Formula: C17H9BrN2OS MolecularWeight: 369.23516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)N=C=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)N=C=S

InChI

InChI=1S/C17H9BrN2OS/c18-12-5-3-4-11(8-12)16-9-14(17(21)19-10-22)13-6-1-2-7-15(13)20-16/h1-9H