4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C17H14ClN5OS MolecularWeight: 371.84396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C#N

InChI

InChI=1S/C17H14ClN5OS/c1-10-13(8-19)16(21-17(24)20-10)25-9-14-11(2)22-23(15(14)18)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,20,21,24)