N-[(E)-(4-cyanophenyl)methylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[(E)-(4-cyanophenyl)methylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-[(E)-(4-cyanophenyl)methyleneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-[(E)-(4-cyanophenyl)methylideneamino]-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-[(E)-(4-cyanophenyl)methylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-[(E)-(4-cyanobenzylidene)amino]-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H19N5OS/c1-15-11-16(2)26-22(25-15)29-14-19-7-9-20(10-8-19)21(28)27-24-13-18-5-3-17(12-23)4-6-18/h3-11,13H,14H2,1-2H3,(H,27,28)/b24-13+