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

Systemtic Name: 6-chloranyl-3-[6-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Openeye Name: 6-chloro-3-[6-(4-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one CAS Name: 6-chloro-3-[6-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one IUPAC Name: 6-chloro-3-[6-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Traditional Name: 6-chloro-3-[6-(4-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Formula: C19H15ClN4O2S MolecularWeight: 398.866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(NC(=S)N2)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(NC(=S)N2)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C19H15ClN4O2S/c1-26-12-5-2-10(3-6-12)15-9-16(22-19(27)21-15)17-18(25)13-8-11(20)4-7-14(13)23-24-17/h2-9,16-17H,1H3,(H2,21,22,27)