N-[(E)-1-(4-bromophenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide Openeye Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-4-[(2-pyrimidinylthio)methyl]benzamide IUPAC Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-4-(pyrimidin-2-ylsulfanylmethyl)benzamide Traditional Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-4-[(2-pyrimidylthio)methyl]benzamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)CSC2=NC=CC=N2)/C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN4OS/c1-14(16-7-9-18(21)10-8-16)24-25-19(26)17-5-3-15(4-6-17)13-27-20-22-11-2-12-23-20/h2-12H,13H2,1H3,(H,25,26)/b24-14+