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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-bromo-4-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-bromo-4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-bromo-4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-bromo-4-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C13H9BrN3S2- MolecularWeight: 351.26466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3S2/c1-8-4-5-10(9(14)7-8)17-12(15-16-13(17)18)11-3-2-6-19-11/h2-7H,1H3,(H,16,18)/p-1