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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=NN=C(N1C(C)C)SCC2=CC(=CC=C2)Br

InChI

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