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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-5-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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