6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxy-4-propoxy-phenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxy-4-propoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxy-4-propoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxy-4-propoxy-phenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=O)NC(=S)N2)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)