2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(E)-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(E)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C23H21N7OS MolecularWeight: 443.52414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N7OS/c1-16-11-17(2)27-23(26-16)32-15-21(31)28-25-13-19-14-30(20-8-4-3-5-9-20)29-22(19)18-7-6-10-24-12-18/h3-14H,15H2,1-2H3,(H,28,31)/b25-13+