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

Systemtic Name: (5Z)-1-hexyl-5-[(1-methylindol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-hexyl-5-[(1-methylindol-3-yl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-hexyl-5-[(1-methyl-3-indolyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-hexyl-5-[(1-methylindol-3-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-hexyl-6-keto-5-[(1-methylindol-3-yl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C20H22N3O2S- MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)C)C(=NC1=S)[O-]

Isomeric SMILES

CCCCCCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)C)/C(=NC1=S)[O-]

InChI

InChI=1S/C20H23N3O2S/c1-3-4-5-8-11-23-19(25)16(18(24)21-20(23)26)12-14-13-22(2)17-10-7-6-9-15(14)17/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,21,24,26)/p-1/b16-12-