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

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]benzamide Formula: C29H25N7OS MolecularWeight: 519.6201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H25N7OS/c1-20-15-21(2)33-29(32-20)38-19-22-10-12-23(13-11-22)28(37)34-31-17-25-18-36(26-8-4-3-5-9-26)35-27(25)24-7-6-14-30-16-24/h3-18H,19H2,1-2H3,(H,34,37)/b31-17+