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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[[4-(methylthio)phenyl]methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[[4-(methylthio)benzyl]thio]-1,2,4-triazole Formula: C23H27N3S2 MolecularWeight: 409.61058

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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=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3S2/c1-6-15-26-21(18-9-11-19(12-10-18)23(2,3)4)24-25-22(26)28-16-17-7-13-20(27-5)14-8-17/h6-14H,1,15-16H2,2-5H3