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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C24H20N6OS MolecularWeight: 440.5202

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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)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N6OS/c1-2-21(32-22-13-20(26-16-27-22)17-9-5-3-6-10-17)24(31)29-23-18(14-25)15-28-30(23)19-11-7-4-8-12-19/h3-13,15-16,21H,2H2,1H3,(H,29,31)