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

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6OS/c1-12(18(25)23-17-14(9-19)10-22-24(17)2)26-16-8-15(20-11-21-16)13-6-4-3-5-7-13/h3-8,10-12H,1-2H3,(H,23,25)