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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-bromo-4-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-bromo-4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-bromo-4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-bromo-4-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C14H10BrN4S- MolecularWeight: 346.225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4S/c1-9-4-5-12(11(15)7-9)19-13(17-18-14(19)20)10-3-2-6-16-8-10/h2-8H,1H3,(H,18,20)/p-1