2-(4-ethoxy-3-methoxy-phenyl)-3-(4-fluorophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(4-fluorophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(4-fluorophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(4-fluorophenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N)OC

InChI

InChI=1S/C20H18FN3O3S/c1-3-27-16-9-4-12(10-17(16)26-2)18-23-19(25)15(11-22)20(28)24(18)14-7-5-13(21)6-8-14/h4-10,18,28H,3H2,1-2H3,(H,23,25)