(2S)-5-cyano-2-[5-(3,4-dichlorophenyl)furan-2-yl]-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate

Systemtic Name: (2S)-5-cyano-2-[5-(3,4-dichlorophenyl)furan-2-yl]-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Openeye Name: (2S)-5-cyano-2-[5-(3,4-dichlorophenyl)-2-furyl]-3-phenyl-4-thioxo-1,2-dihydropyrimidin-6-olate CAS Name: (2S)-5-cyano-2-[5-(3,4-dichlorophenyl)-2-furanyl]-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate IUPAC Name: (2S)-5-cyano-2-[5-(3,4-dichlorophenyl)furan-2-yl]-3-phenyl-4-sulfanylidene-1,2-dihydropyrimidin-6-olate Traditional Name: (2S)-5-cyano-2-[5-(3,4-dichlorophenyl)-2-furyl]-3-phenyl-4-thioxo-1,2-dihydropyrimidin-6-olate Formula: C21H12Cl2N3O2S- MolecularWeight: 441.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(NC(=C(C2=S)C#N)[O-])C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H](NC(=C(C2=S)C#N)[O-])C3=CC=C(O3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H13Cl2N3O2S/c22-15-7-6-12(10-16(15)23)17-8-9-18(28-17)19-25-20(27)14(11-24)21(29)26(19)13-4-2-1-3-5-13/h1-10,19,25,27H/p-1/t19-/m0/s1