1-(3,4-dichlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3,4-dichlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,4-dichlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,4-dichlorophenyl)-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,4-dichlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,4-dichlorophenyl)-5-(4-pyrrolidinobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17Cl2N3O2S MolecularWeight: 446.34958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O2S/c22-17-8-7-15(12-18(17)23)26-20(28)16(19(27)24-21(26)29)11-13-3-5-14(6-4-13)25-9-1-2-10-25/h3-8,11-12H,1-2,9-10H2,(H,24,27,29)