3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1-oxidanylidene-2H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1-oxidanylidene-2H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-1-oxo-2H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-methyl-1-oxo-2H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-methyl-1-oxo-2H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1-keto-5-methyl-2H-pyrimido[1,6-a]benzimidazol-5-ium-4-carbonitrile Formula: C20H14ClN4O2S+ MolecularWeight: 409.86876

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C(NC(=O)N2C3=CC=CC=C31)SCC(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C[N+]1=C2C(=C(NC(=O)N2C3=CC=CC=C31)SCC(=O)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H13ClN4O2S/c1-24-15-4-2-3-5-16(15)25-19(24)14(10-22)18(23-20(25)27)28-11-17(26)12-6-8-13(21)9-7-12/h2-9H,11H2,1H3/p+1