2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-(4-methylphenyl)butane-1,4-dione

Systemtic Name: 2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-(4-methylphenyl)butane-1,4-dione Openeye Name: 2-(4-amino-6-oxo-2-thioxo-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-(p-tolyl)butane-1,4-dione CAS Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-(4-methylphenyl)butane-1,4-dione IUPAC Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-(4-methylphenyl)butane-1,4-dione Traditional Name: 2-(4-amino-6-keto-2-thioxo-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-(p-tolyl)butane-1,4-dione Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2C(=NC(=S)NC2=O)N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2C(=NC(=S)NC2=O)N)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-11-2-4-12(5-3-11)16(26)10-15(17-19(23)24-21(29)25-20(17)28)18(27)13-6-8-14(22)9-7-13/h2-9,15,17H,10H2,1H3,(H3,23,24,25,28,29)