N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-phenylmethoxy-phenyl)methanimine

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-phenylmethoxy-phenyl)methanimine Openeye Name: 1-(4-benzyloxy-3-ethoxy-phenyl)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-yl]methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-phenylmethoxyphenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-phenylmethoxyphenyl)methanimine Traditional Name: (E)-(4-benzoxy-3-ethoxy-benzylidene)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]amine Formula: C28H29BrN4O2S MolecularWeight: 565.52446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C(=NN=C2SCC3=CC=C(C=C3)Br)C(C)C)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/N2C(=NN=C2SCC3=CC=C(C=C3)Br)C(C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29BrN4O2S/c1-4-34-26-16-23(12-15-25(26)35-18-21-8-6-5-7-9-21)17-30-33-27(20(2)3)31-32-28(33)36-19-22-10-13-24(29)14-11-22/h5-17,20H,4,18-19H2,1-3H3/b30-17+