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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N6OS/c1-16(31-21-12-20(25-15-26-21)17-8-4-2-5-9-17)23(30)28-22-18(13-24)14-27-29(22)19-10-6-3-7-11-19/h2-12,14-16H,1H3,(H,28,30)