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

Systemtic Name: 2-(3-methoxy-4-propan-2-yloxy-phenyl)-3-(3-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-isopropoxy-3-methoxy-phenyl)-3-(m-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(3-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(3-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-isopropoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-(m-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC(C)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC(C)C)OC

InChI

InChI=1S/C22H23N3O3S/c1-13(2)28-18-9-8-15(11-19(18)27-4)20-24-21(26)17(12-23)22(29)25(20)16-7-5-6-14(3)10-16/h5-11,13,20,29H,1-4H3,(H,24,26)