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

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(4-butoxyphenyl)methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(4-butoxyphenyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propyl-1,2,4-triazol-4-yl]-1-(4-butoxyphenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(4-butoxyphenyl)methanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-propyl-1,2,4-triazol-4-yl]-(4-butoxybenzylidene)amine Formula: C23H27BrN4OS MolecularWeight: 487.45568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NN2C(=NN=C2SCC3=CC=C(C=C3)Br)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/N2C(=NN=C2SCC3=CC=C(C=C3)Br)CCC

InChI

InChI=1S/C23H27BrN4OS/c1-3-5-15-29-21-13-9-18(10-14-21)16-25-28-22(6-4-2)26-27-23(28)30-17-19-7-11-20(24)12-8-19/h7-14,16H,3-6,15,17H2,1-2H3/b25-16+