N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-(4-allyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(E)-(4-allyloxy-3-bromo-5-methoxy-benzylidene)amino]-2-(2-pyrimidylthio)acetamide Formula: C17H17BrN4O3S MolecularWeight: 437.31088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CSC2=NC=CC=N2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)CSC2=NC=CC=N2)Br)OCC=C

InChI

InChI=1S/C17H17BrN4O3S/c1-3-7-25-16-13(18)8-12(9-14(16)24-2)10-21-22-15(23)11-26-17-19-5-4-6-20-17/h3-6,8-10H,1,7,11H2,2H3,(H,22,23)/b21-10+