(5Z)-5-[(4-nitrophenyl)methylidene]-2-(phenylmethylsulfanyl)-1H-pyrimidine-4,6-dione

Systemtic Name: (5Z)-5-[(4-nitrophenyl)methylidene]-2-(phenylmethylsulfanyl)-1H-pyrimidine-4,6-dione Openeye Name: (5Z)-2-benzylsulfanyl-5-[(4-nitrophenyl)methylene]-1H-pyrimidine-4,6-dione CAS Name: (5Z)-5-[(4-nitrophenyl)methylidene]-2-(phenylmethylthio)-1H-pyrimidine-4,6-dione IUPAC Name: (5Z)-2-benzylsulfanyl-5-[(4-nitrophenyl)methylidene]-1H-pyrimidine-4,6-dione Traditional Name: (5Z)-2-(benzylthio)-5-(4-nitrobenzylidene)-1H-pyrimidine-4,6-quinone Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2

InChI

InChI=1S/C18H13N3O4S/c22-16-15(10-12-6-8-14(9-7-12)21(24)25)17(23)20-18(19-16)26-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,19,20,22,23)