3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-cyclopropyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1H-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-cyclopropyl-1H-1,2,4-triazole Formula: C12H12BrN3S MolecularWeight: 310.21278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C12H12BrN3S/c13-10-5-1-8(2-6-10)7-17-12-14-11(15-16-12)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,14,15,16)