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

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(2-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(o-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(2-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(2-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-ethoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-(o-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3C)S)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3C)S)C#N)OC

InChI

InChI=1S/C21H21N3O3S/c1-4-27-17-10-9-14(11-18(17)26-3)19-23-20(25)15(12-22)21(28)24(19)16-8-6-5-7-13(16)2/h5-11,19,28H,4H2,1-3H3,(H,23,25)