N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H22N6OS/c1-13-10-14(2)23-20(22-13)28-12-19(27)24-21-11-18-15(3)25-26(16(18)4)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,24,27)/b21-11+