3-[6-(3-bromophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-chloranyl-3H-cinnolin-4-one

Systemtic Name: 3-[6-(3-bromophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-chloranyl-3H-cinnolin-4-one Openeye Name: 3-[6-(3-bromophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one CAS Name: 3-[6-(3-bromophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one IUPAC Name: 3-[6-(3-bromophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Traditional Name: 3-[6-(3-bromophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Formula: C18H12BrClN4OS MolecularWeight: 447.73608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=CC(NC(=S)N2)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=CC(NC(=S)N2)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C18H12BrClN4OS/c19-10-3-1-2-9(6-10)14-8-15(22-18(26)21-14)16-17(25)12-7-11(20)4-5-13(12)23-24-16/h1-8,15-16H,(H2,21,22,26)