1-(5-bromanyl-2-methoxy-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-N-[3-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine Openeye Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(5-bromo-2-methoxy-phenyl)methanimine CAS Name: 1-(5-bromo-2-methoxyphenyl)-N-[3-(phenylmethylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(5-bromo-2-methoxyphenyl)methanimine Traditional Name: (E)-[3-(benzylthio)-1,2,4-triazol-4-yl]-(5-bromo-2-methoxy-benzylidene)amine Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NN2C=NN=C2SCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/N2C=NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4OS/c1-23-16-8-7-15(18)9-14(16)10-20-22-12-19-21-17(22)24-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/b20-10+