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

Systemtic Name: 4-(3-bromophenyl)-5-cyclopropyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-bromophenyl)-5-cyclopropyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3-bromophenyl)-5-cyclopropyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-bromophenyl)-5-cyclopropyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromophenyl)-5-cyclopropyl-1,2,4-triazole-3-thiolate Formula: C11H9BrN3S- MolecularWeight: 295.17826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC(=CC=C3)Br)[S-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC(=CC=C3)Br)[S-]

InChI

InChI=1S/C11H10BrN3S/c12-8-2-1-3-9(6-8)15-10(7-4-5-7)13-14-11(15)16/h1-3,6-7H,4-5H2,(H,14,16)/p-1