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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-isopropyl-1H-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-propan-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-isopropyl-1H-1,2,4-triazole Formula: C12H14BrN3S MolecularWeight: 312.22866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H14BrN3S/c1-8(2)11-14-12(16-15-11)17-7-9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3,(H,14,15,16)