4-(3-bromophenyl)-5-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-bromophenyl)-5-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-bromophenyl)-5-ethyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3-bromophenyl)-5-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-bromophenyl)-5-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromophenyl)-5-ethyl-1,2,4-triazole-3-thiolate Formula: C10H9BrN3S- MolecularWeight: 283.16756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC(=CC=C2)Br)[S-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC(=CC=C2)Br)[S-]

InChI

InChI=1S/C10H10BrN3S/c1-2-9-12-13-10(15)14(9)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H,13,15)/p-1