5-(4-bromophenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-bromophenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-bromophenyl)-3-isopropylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-bromophenyl)-3-(propan-2-ylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-bromophenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-bromophenyl)-3-(isopropylthio)-1H-1,2,4-triazole Formula: C11H12BrN3S MolecularWeight: 298.20208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)SC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

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