1-(3-chloranyl-4-fluoranyl-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H15ClFN3O2S MolecularWeight: 415.868403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H15ClFN3O2S/c21-16-9-14(5-6-17(16)22)25-19(27)15(18(26)23-20(25)28)11-24-8-7-12-3-1-2-4-13(12)10-24/h1-6,9,11H,7-8,10H2,(H,23,26,28)