N-[(E)-(4-bromophenyl)methylideneamino]-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxy-ethanamide

Systemtic Name: N-[(E)-(4-bromophenyl)methylideneamino]-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxy-ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)oxy-N-[(E)-(4-bromophenyl)methyleneamino]acetamide CAS Name: N-[(E)-(4-bromophenyl)methylideneamino]-2-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]oxy]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxy-N-[(E)-(4-bromophenyl)methylideneamino]acetamide Traditional Name: 2-[2-(benzylthio)-6-methyl-pyrimidin-4-yl]oxy-N-[(E)-(4-bromobenzylidene)amino]acetamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)OCC(=O)NN=CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2S/c1-15-11-20(25-21(24-15)29-14-17-5-3-2-4-6-17)28-13-19(27)26-23-12-16-7-9-18(22)10-8-16/h2-12H,13-14H2,1H3,(H,26,27)/b23-12+