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

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-phenylmethoxyphenyl)methanimine Openeye Name: 1-(3-benzyloxyphenyl)-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-phenylmethoxyphenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-phenylmethoxyphenyl)methanimine Traditional Name: (E)-(3-benzoxybenzylidene)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]amine Formula: C26H25BrN4OS MolecularWeight: 521.4719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N=CC2=CC(=CC=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=NN=C(N1/N=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN4OS/c1-19(2)25-29-30-26(33-18-21-11-13-23(27)14-12-21)31(25)28-16-22-9-6-10-24(15-22)32-17-20-7-4-3-5-8-20/h3-16,19H,17-18H2,1-2H3/b28-16+