2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[(4-bromophenyl)methylthio]-3-(3,4-dichlorophenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,4-dichlorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[(4-bromobenzyl)thio]-3-(3,4-dichlorophenyl)-6-keto-pyrimidin-4-olate Formula: C17H10BrCl2N2O2S- MolecularWeight: 457.1485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)[O-])Br

InChI

InChI=1S/C17H11BrCl2N2O2S/c18-11-3-1-10(2-4-11)9-25-17-21-15(23)8-16(24)22(17)12-5-6-13(19)14(20)7-12/h1-8,24H,9H2/p-1