2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-phenoxyphenyl)methyleneamino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(E)-(3-phenoxybenzylidene)amino]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N4O2S/c1-15-11-16(2)24-21(23-15)28-14-20(26)25-22-13-17-7-6-10-19(12-17)27-18-8-4-3-5-9-18/h3-13H,14H2,1-2H3,(H,25,26)/b22-13+