6-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-5-cyano-2-sulfanylidene-1H-pyrimidin-4-olate

Systemtic Name: 6-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-5-cyano-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 6-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-5-cyano-2-thioxo-1H-pyrimidin-4-olate CAS Name: 6-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5-cyano-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 6-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5-cyano-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 6-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-5-cyano-2-thioxo-1H-pyrimidin-4-olate Formula: C19H13ClN3O3S- MolecularWeight: 398.84282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C(=NC(=S)N2)[O-])C#N)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C(=NC(=S)N2)[O-])C#N)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H14ClN3O3S/c1-25-16-8-12(17-14(9-21)18(24)23-19(27)22-17)4-7-15(16)26-10-11-2-5-13(20)6-3-11/h2-8H,10H2,1H3,(H2,22,23,24,27)/p-1