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

Systemtic Name: 4-(3-bromophenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-bromophenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3-bromophenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-bromophenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromophenyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C11H11BrN3S- MolecularWeight: 297.19414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=CC=C2)Br)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=CC=C2)Br)[S-]

InChI

InChI=1S/C11H12BrN3S/c1-2-4-10-13-14-11(16)15(10)9-6-3-5-8(12)7-9/h3,5-7H,2,4H2,1H3,(H,14,16)/p-1