1-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-(3-bromo-4-isopropoxy-5-methoxy-benzylidene)-(1,2,4-triazol-4-yl)amine Formula: C13H15BrN4O2 MolecularWeight: 339.1878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Br)C=NN2C=NN=C2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Br)/C=N/N2C=NN=C2)OC

InChI

InChI=1S/C13H15BrN4O2/c1-9(2)20-13-11(14)4-10(5-12(13)19-3)6-17-18-7-15-16-8-18/h4-9H,1-3H3/b17-6+