3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-[[(4-methylphenyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[2-(4-tert-butylphenoxy)ethylthio]-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C25H31N3OS2 MolecularWeight: 453.66314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H31N3OS2/c1-6-15-28-23(18-31-22-13-7-19(2)8-14-22)26-27-24(28)30-17-16-29-21-11-9-20(10-12-21)25(3,4)5/h6-14H,1,15-18H2,2-5H3