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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC=NC(=C3)C

InChI

InChI=1S/C19H18N6OS/c1-3-16(27-17-9-13(2)21-12-22-17)19(26)24-18-14(10-20)11-23-25(18)15-7-5-4-6-8-15/h4-9,11-12,16H,3H2,1-2H3,(H,24,26)