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

Systemtic Name: 3-(4-chlorophenyl)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-chlorophenyl)-2-(4-isopropoxy-3-methoxy-phenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-chlorophenyl)-4-mercapto-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-chlorophenyl)-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(4-chlorophenyl)-2-(4-isopropoxy-3-methoxy-phenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)Cl)S)C#N)OC

InChI

InChI=1S/C21H20ClN3O3S/c1-12(2)28-17-9-4-13(10-18(17)27-3)19-24-20(26)16(11-23)21(29)25(19)15-7-5-14(22)6-8-15/h4-10,12,19,29H,1-3H3,(H,24,26)