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

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-ethoxynaphthalen-1-yl)methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-yl]-1-(2-ethoxy-1-naphthyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-ethoxy-1-naphthalenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(2-ethoxynaphthalen-1-yl)methanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]-[(2-ethoxy-1-naphthyl)methylene]amine Formula: C25H25BrN4OS MolecularWeight: 509.4612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C=NN3C(=NN=C3SCC4=CC=C(C=C4)Br)C(C)C

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)/C=N/N3C(=NN=C3SCC4=CC=C(C=C4)Br)C(C)C

InChI

InChI=1S/C25H25BrN4OS/c1-4-31-23-14-11-19-7-5-6-8-21(19)22(23)15-27-30-24(17(2)3)28-29-25(30)32-16-18-9-12-20(26)13-10-18/h5-15,17H,4,16H2,1-3H3/b27-15+