3-(2-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-bromophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-bromophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-bromophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H14BrN5O3S MolecularWeight: 436.28306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C16H14BrN5O3S/c1-25-14-7-6-11(22(23)24)8-10(14)9-26-16-20-19-15(21(16)18)12-4-2-3-5-13(12)17/h2-8H,9,18H2,1H3