5-[(5-bromanyl-2-methyl-indol-3-ylidene)methyl]-3-(4-ethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[(5-bromanyl-2-methyl-indol-3-ylidene)methyl]-3-(4-ethoxyphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(5-bromo-2-methyl-indol-3-ylidene)methyl]-3-(4-ethoxyphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(5-bromo-2-methyl-3-indolylidene)methyl]-3-(4-ethoxyphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(5-bromo-2-methylindol-3-ylidene)methyl]-3-(4-ethoxyphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(5-bromo-2-methyl-indol-3-ylidene)methyl]-6-keto-3-p-phenetyl-2-thioxo-pyrimidin-4-olate Formula: C22H17BrN3O3S- MolecularWeight: 483.35768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=C3C(=NC4=C3C=C(C=C4)Br)C)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=C3C(=NC4=C3C=C(C=C4)Br)C)[O-]

InChI

InChI=1S/C22H18BrN3O3S/c1-3-29-15-7-5-14(6-8-15)26-21(28)18(20(27)25-22(26)30)11-16-12(2)24-19-9-4-13(23)10-17(16)19/h4-11,28H,3H2,1-2H3,(H,25,27,30)/p-1