1-[(4-fluorophenyl)methyl]-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(4-fluorophenyl)methyl]-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-fluorobenzyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H15FN4O4S MolecularWeight: 438.431603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O4S/c1-11-15(16-8-14(26(29)30)6-7-18(16)23-11)9-17-19(27)24-21(31)25(20(17)28)10-12-2-4-13(22)5-3-12/h2-9,23H,10H2,1H3,(H,24,27,31)