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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Formula: C25H24BrN3S MolecularWeight: 478.44716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H24BrN3S/c1-25(2,3)20-14-12-19(13-15-20)23-27-28-24(29(23)22-10-5-4-6-11-22)30-17-18-8-7-9-21(26)16-18/h4-16H,17H2,1-3H3