4-[[3,4-bis(chloranyl)-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[[3,4-bis(chloranyl)-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)amino]-6-methylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[(3,4-dichloro-2,5-dioxo-1-pyrrolyl)amino]-6-(methylthio)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[(3,4-dichloro-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[(3,4-dichloro-2,5-diketo-3-pyrrolin-1-yl)amino]-6-(methylthio)-2-phenyl-pyrimidine-5-carbonitrile Formula: C16H9Cl2N5O2S MolecularWeight: 406.24596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)NN2C(=O)C(=C(C2=O)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)NN2C(=O)C(=C(C2=O)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H9Cl2N5O2S/c1-26-14-9(7-19)13(20-12(21-14)8-5-3-2-4-6-8)22-23-15(24)10(17)11(18)16(23)25/h2-6H,1H3,(H,20,21,22)