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

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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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)OC)S)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-4-28-17-10-5-13(11-18(17)27-3)19-23-20(25)16(12-22)21(29)24(19)14-6-8-15(26-2)9-7-14/h5-11,19,29H,4H2,1-3H3,(H,23,25)