3-(4-butylphenyl)-6-oxidanylidene-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-(4-butylphenyl)-6-oxidanylidene-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-butylphenyl)-6-oxo-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-butylphenyl)-4-mercapto-6-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-butylphenyl)-6-oxo-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(4-butylphenyl)-6-keto-4-mercapto-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H27N3O4S/c1-5-6-7-15-8-10-17(11-9-15)27-22(26-23(28)18(14-25)24(27)32)16-12-19(29-2)21(31-4)20(13-16)30-3/h8-13,22,32H,5-7H2,1-4H3,(H,26,28)