3-(4-bromophenyl)-4-butyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-bromophenyl)-4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromophenyl)-4-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromophenyl)-4-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromophenyl)-4-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromophenyl)-4-butyl-1H-1,2,4-triazole-5-thione Formula: C12H14BrN3S MolecularWeight: 312.22866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN3S/c1-2-3-8-16-11(14-15-12(16)17)9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3,(H,15,17)