4-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,6-dibromo-4-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,6-dibromo-4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,6-dibromo-4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,6-dibromo-4-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C13H8Br2N3S2- MolecularWeight: 430.16072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)N2C(=NN=C2[S-])C3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)N2C(=NN=C2[S-])C3=CC=CS3)Br

InChI

InChI=1S/C13H9Br2N3S2/c1-7-5-8(14)11(9(15)6-7)18-12(16-17-13(18)19)10-3-2-4-20-10/h2-6H,1H3,(H,17,19)/p-1