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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(3-chlorobenzyl)thio]-1,2,4-triazole Formula: C22H24ClN3S MolecularWeight: 397.96406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3S/c1-5-13-26-20(17-9-11-18(12-10-17)22(2,3)4)24-25-21(26)27-15-16-7-6-8-19(23)14-16/h5-12,14H,1,13,15H2,2-4H3