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

Systemtic Name: 6-chloranyl-3-(6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-3H-cinnolin-4-one Openeye Name: 6-chloro-3-(6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-3H-cinnolin-4-one CAS Name: 6-chloro-3-(6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-3H-cinnolin-4-one IUPAC Name: 6-chloro-3-(6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-3H-cinnolin-4-one Traditional Name: 6-chloro-3-(6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl)-3H-cinnolin-4-one Formula: C18H13ClN4OS MolecularWeight: 368.84002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4OS/c19-11-6-7-13-12(8-11)17(24)16(23-22-13)15-9-14(20-18(25)21-15)10-4-2-1-3-5-10/h1-9,15-16H,(H2,20,21,25)