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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-cyclohexyl-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-cyclohexyl-4-ethyl-1,2,4-triazole Formula: C17H22BrN3S MolecularWeight: 380.34568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3CCCCC3

InChI

InChI=1S/C17H22BrN3S/c1-2-21-16(14-8-4-3-5-9-14)19-20-17(21)22-12-13-7-6-10-15(18)11-13/h6-7,10-11,14H,2-5,8-9,12H2,1H3