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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-isopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-isopropyl-4-methyl-1,2,4-triazole Formula: C13H16BrN3S MolecularWeight: 326.25524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H16BrN3S/c1-9(2)12-15-16-13(17(12)3)18-8-10-5-4-6-11(14)7-10/h4-7,9H,8H2,1-3H3