3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)thio]-1,2,4-triazole Formula: C22H23Cl2N3S MolecularWeight: 432.40912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3S/c1-5-12-27-20(15-6-9-17(10-7-15)22(2,3)4)25-26-21(27)28-14-16-8-11-18(23)13-19(16)24/h5-11,13H,1,12,14H2,2-4H3