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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-cyclohexyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-cyclohexyl-4-methyl-1,2,4-triazole Formula: C16H20BrN3S MolecularWeight: 366.3191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CCCCC3

InChI

InChI=1S/C16H20BrN3S/c1-20-15(13-7-3-2-4-8-13)18-19-16(20)21-11-12-6-5-9-14(17)10-12/h5-6,9-10,13H,2-4,7-8,11H2,1H3