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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3OS/c1-6-15-26-21(18-9-13-20(27-5)14-10-18)24-25-22(26)28-16-17-7-11-19(12-8-17)23(2,3)4/h6-14H,1,15-16H2,2-5H3