N-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(E)-(5-bromo-2-propargyloxy-benzylidene)amino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=C(C=CC(=C2)Br)OCC#C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C)C

InChI

InChI=1S/C18H17BrN4O2S/c1-4-7-25-16-6-5-15(19)9-14(16)10-20-23-17(24)11-26-18-21-12(2)8-13(3)22-18/h1,5-6,8-10H,7,11H2,2-3H3,(H,23,24)/b20-10+