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

Systemtic Name: 5-cyano-6-(3-methoxy-4-propoxy-phenyl)-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 5-cyano-6-(3-methoxy-4-propoxy-phenyl)-2-thioxo-1H-pyrimidin-4-olate CAS Name: 5-cyano-6-(3-methoxy-4-propoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 5-cyano-6-(3-methoxy-4-propoxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 5-cyano-6-(3-methoxy-4-propoxy-phenyl)-2-thioxo-1H-pyrimidin-4-olate Formula: C15H14N3O3S- MolecularWeight: 316.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=NC(=S)N2)[O-])C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=NC(=S)N2)[O-])C#N)OC

InChI

InChI=1S/C15H15N3O3S/c1-3-6-21-11-5-4-9(7-12(11)20-2)13-10(8-16)14(19)18-15(22)17-13/h4-5,7H,3,6H2,1-2H3,(H2,17,18,19,22)/p-1