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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C

InChI

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