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

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-yl]-1-(5-nitro-2-furyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(5-nitro-2-furanyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]-[(5-nitro-2-furyl)methylene]amine Formula: C17H16BrN5O3S MolecularWeight: 450.30964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N=CC2=CC=C(O2)[N+](=O)[O-])SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=NN=C(N1/N=C/C2=CC=C(O2)[N+](=O)[O-])SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN5O3S/c1-11(2)16-20-21-17(27-10-12-3-5-13(18)6-4-12)22(16)19-9-14-7-8-15(26-14)23(24)25/h3-9,11H,10H2,1-2H3/b19-9+