2-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H19ClN3O2S2- MolecularWeight: 444.97746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C21H20ClN3O2S2/c1-2-5-15-12-19(26)25-21(23-15)28-13-20(27)24-17-6-3-4-7-18(17)29-16-10-8-14(22)9-11-16/h3-4,6-12H,2,5,13H2,1H3,(H,24,27)(H,23,25,26)/p-1