(5Z)-1-[(2S)-butan-2-yl]-5-[(1-methylindol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-[(2S)-butan-2-yl]-5-[(1-methylindol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(1-methylindol-3-yl)methylene]-1-[(1S)-1-methylpropyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-[(2S)-butan-2-yl]-5-[(1-methyl-3-indolyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-[(2S)-butan-2-yl]-5-[(1-methylindol-3-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-5-[(1-methylindol-3-yl)methylene]-1-[(1S)-1-methylpropyl]-2-thioxo-pyrimidin-4-olate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=NC1=S)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=NC1=S)[O-]

InChI

InChI=1S/C18H19N3O2S/c1-4-11(2)21-17(23)14(16(22)19-18(21)24)9-12-10-20(3)15-8-6-5-7-13(12)15/h5-11H,4H2,1-3H3,(H,19,22,24)/p-1/b14-9-/t11-/m0/s1