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

Systemtic Name: 3-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromophenyl)-4-(2-methylallyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromophenyl)-4-(2-methylallyl)-1H-1,2,4-triazole-5-thione Formula: C12H12BrN3S MolecularWeight: 310.21278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NNC1=S)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=C)CN1C(=NNC1=S)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3S/c1-8(2)7-16-11(14-15-12(16)17)9-3-5-10(13)6-4-9/h3-6H,1,7H2,2H3,(H,15,17)