2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[5-(4-ethylphenyl)-2-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[5-(4-ethylphenyl)-2-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[5-(4-ethylphenyl)-2-phenyl-pyrazol-3-yl]acetamide Formula: C24H21N7OS MolecularWeight: 455.53484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC=C(C(=N3)N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H21N7OS/c1-2-16-8-10-17(11-9-16)20-12-21(31(30-20)19-6-4-3-5-7-19)28-22(32)15-33-24-27-14-18(13-25)23(26)29-24/h3-12,14H,2,15H2,1H3,(H,28,32)(H2,26,27,29)