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

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-methoxy-2-phenylmethoxy-phenyl)methanimine Openeye Name: 1-(2-benzyloxy-3-methoxy-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-methoxy-2-phenylmethoxyphenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanimine Traditional Name: (E)-(2-benzoxy-3-methoxy-benzylidene)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]amine Formula: C27H27BrN4O2S MolecularWeight: 551.49788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrN4O2S/c1-19(2)26-30-31-27(35-18-21-12-14-23(28)15-13-21)32(26)29-16-22-10-7-11-24(33-3)25(22)34-17-20-8-5-4-6-9-20/h4-16,19H,17-18H2,1-3H3/b29-16+