2-[[3-chloranyl-2-(4-methylsulfanylphenyl)-4-oxidanylidene-azetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[3-chloranyl-2-(4-methylsulfanylphenyl)-4-oxidanylidene-azetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 2-[[3-chloro-2-(4-methylsulfanylphenyl)-4-oxo-azetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 2-[[3-chloro-2-[4-(methylthio)phenyl]-4-oxo-1-azetidinyl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 2-[[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 2-[[3-chloro-2-keto-4-[4-(methylthio)phenyl]azetidin-1-yl]amino]-4-(4-chlorophenyl)-6-keto-1-methyl-pyrimidine-5-carbonitrile Formula: C22H17Cl2N5O2S MolecularWeight: 486.37368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NN2C(C(C2=O)Cl)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1NN2C(C(C2=O)Cl)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H17Cl2N5O2S/c1-28-20(30)16(11-25)18(12-3-7-14(23)8-4-12)26-22(28)27-29-19(17(24)21(29)31)13-5-9-15(32-2)10-6-13/h3-10,17,19H,1-2H3,(H,26,27)