N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H14N6O2S/c1-11-7-14(24)22-17(20-11)26-10-15(25)21-16-12(8-18)9-19-23(16)13-5-3-2-4-6-13/h2-7,9H,10H2,1H3,(H,21,25)(H,20,22,24)