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

Systemtic Name: 6-chloranyl-3-[6-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Openeye Name: 6-chloro-3-[6-(3-phenoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one CAS Name: 6-chloro-3-[6-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one IUPAC Name: 6-chloro-3-[6-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Traditional Name: 6-chloro-3-[6-(3-phenoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=CC(NC(=S)N3)C4C(=O)C5=C(C=CC(=C5)Cl)N=N4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=CC(NC(=S)N3)C4C(=O)C5=C(C=CC(=C5)Cl)N=N4

InChI

InChI=1S/C24H17ClN4O2S/c25-15-9-10-19-18(12-15)23(30)22(29-28-19)21-13-20(26-24(32)27-21)14-5-4-8-17(11-14)31-16-6-2-1-3-7-16/h1-13,21-22H,(H2,26,27,32)