2-[2-(5-bromanyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-(5-bromanyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(5-bromoindolin-1-yl)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(5-bromoindolin-1-yl)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H11BrN3O2S- MolecularWeight: 365.22504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)Br)C(=O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)Br)C(=O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C14H12BrN3O2S/c15-10-1-2-11-9(7-10)4-6-18(11)13(20)8-21-14-16-5-3-12(19)17-14/h1-3,5,7H,4,6,8H2,(H,16,17,19)/p-1