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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(4-isopropylphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-ethyl-5-p-cumenyl-1,2,4-triazole Formula: C20H22BrN3S MolecularWeight: 416.37778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H22BrN3S/c1-4-24-19(17-9-7-16(8-10-17)14(2)3)22-23-20(24)25-13-15-5-11-18(21)12-6-15/h5-12,14H,4,13H2,1-3H3