3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-(2-methylsulfanylethylsulfanyl)-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-[2-(methylthio)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[2-(methylthio)ethylthio]-4-(o-tolyl)-1,2,4-triazole Formula: C22H27N3S2 MolecularWeight: 397.59988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCSC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCSC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N3S2/c1-16-8-6-7-9-19(16)25-20(23-24-21(25)27-15-14-26-5)17-10-12-18(13-11-17)22(2,3)4/h6-13H,14-15H2,1-5H3