3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C)C(C)(C)C

InChI

InChI=1S/C25H31N3OS/c1-8-13-28-23(19-9-11-21(29-7)12-10-19)26-27-24(28)30-16-22-17(2)14-20(15-18(22)3)25(4,5)6/h8-12,14-15H,1,13,16H2,2-7H3