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

Systemtic Name: (5Z)-1-butyl-6-oxidanylidene-5-[[1-(phenylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(1-benzylindol-3-yl)methylene]-1-butyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-butyl-6-oxo-5-[[1-(phenylmethyl)-3-indolyl]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1-butyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[(1-benzylindol-3-yl)methylene]-1-butyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C24H22N3O2S- MolecularWeight: 416.51538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=NC1=S)[O-]

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C(=NC1=S)[O-]

InChI

InChI=1S/C24H23N3O2S/c1-2-3-13-27-23(29)20(22(28)25-24(27)30)14-18-16-26(15-17-9-5-4-6-10-17)21-12-8-7-11-19(18)21/h4-12,14,16H,2-3,13,15H2,1H3,(H,25,28,30)/p-1/b20-14-