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

Systemtic Name: 2-(4-chlorophenyl)-4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chlorophenyl)-4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-(4-chlorophenyl)-4-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-chlorophenyl)-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(4-chlorophenyl)-4-(citraconimidoamino)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C17H12ClN5O2S MolecularWeight: 385.82748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)Cl)SC)C#N

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)Cl)SC)C#N

InChI

InChI=1S/C17H12ClN5O2S/c1-9-7-13(24)23(17(9)25)22-15-12(8-19)16(26-2)21-14(20-15)10-3-5-11(18)6-4-10/h3-7H,1-2H3,(H,20,21,22)