3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazole Formula: C24H28BrN3S MolecularWeight: 470.46822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H28BrN3S/c1-24(2,3)19-12-10-18(11-13-19)22-26-27-23(28(22)21-6-4-5-7-21)29-16-17-8-14-20(25)15-9-17/h8-15,21H,4-7,16H2,1-3H3