6-(4-chlorophenyl)-2-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-[[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-keto-2-[[2-keto-2-(3-keto-4-methyl-1,4-benzoxazin-6-yl)ethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C22H15ClN4O4S MolecularWeight: 466.8969

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NC(=O)C(=C(N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H15ClN4O4S/c1-27-16-8-13(4-7-18(16)31-10-19(27)29)17(28)11-32-22-25-20(15(9-24)21(30)26-22)12-2-5-14(23)6-3-12/h2-8H,10-11H2,1H3,(H,25,26,30)