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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=NC1=S)[O-]

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=NC1=S)[O-]

InChI

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