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

Systemtic Name: 3-(2-bromophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-bromophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-bromophenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-bromophenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-bromophenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H14BrN5O2S MolecularWeight: 420.28366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C16H14BrN5O2S/c1-10-11(5-4-8-14(10)22(23)24)9-25-16-20-19-15(21(16)18)12-6-2-3-7-13(12)17/h2-8H,9,18H2,1H3