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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-chlorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C25H24ClN3S MolecularWeight: 433.99616

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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=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H24ClN3S/c1-25(2,3)20-15-13-18(14-16-20)23-27-28-24(29(23)21-10-5-4-6-11-21)30-17-19-9-7-8-12-22(19)26/h4-16H,17H2,1-3H3