(5Z)-1-methyl-6-oxidanylidene-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-methyl-6-oxidanylidene-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(1-benzylindol-3-yl)methylene]-1-methyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-methyl-6-oxo-5-[[1-(phenylmethyl)-3-indolyl]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1-methyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[(1-benzylindol-3-yl)methylene]-6-keto-1-methyl-2-thioxo-pyrimidin-4-olate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=NC1=S)[O-]

Isomeric SMILES

CN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C(=NC1=S)[O-]

InChI

InChI=1S/C21H17N3O2S/c1-23-20(26)17(19(25)22-21(23)27)11-15-13-24(12-14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h2-11,13H,12H2,1H3,(H,22,25,27)/p-1/b17-11-