N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C#N)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C#N)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N6OS/c1-4-17(20(27)25-19-15(11-21)12-22-26(19)3)28-18-10-16(23-13(2)24-18)14-8-6-5-7-9-14/h5-10,12,17H,4H2,1-3H3,(H,25,27)