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

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-phenoxyphenyl)methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-yl]-1-(3-phenoxyphenyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-phenoxyphenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-phenoxyphenyl)methanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]-(3-phenoxybenzylidene)amine Formula: C25H23BrN4OS MolecularWeight: 507.44532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N=CC2=CC(=CC=C2)OC3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=NN=C(N1/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN4OS/c1-18(2)24-28-29-25(32-17-19-11-13-21(26)14-12-19)30(24)27-16-20-7-6-10-23(15-20)31-22-8-4-3-5-9-22/h3-16,18H,17H2,1-2H3/b27-16+