(5E)-1-methyl-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-methyl-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-methyl-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-methyl-5-[(1-phenyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-methyl-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-methyl-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=CN2C3=CC=CC=C3)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC=CN2C3=CC=CC=C3)/C(=O)NC1=S

InChI

InChI=1S/C16H13N3O2S/c1-18-15(21)13(14(20)17-16(18)22)10-12-8-5-9-19(12)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,20,22)/b13-10+