3-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 4-(2-isopropylphenyl)-3-(p-tolyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)methylthio]-4-(2-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-4-o-cumenyl-5-(p-tolyl)-1,2,4-triazole Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3S/c1-18(2)23-7-5-6-8-24(23)29-25(22-15-11-20(4)12-16-22)27-28-26(29)30-17-21-13-9-19(3)10-14-21/h5-16,18H,17H2,1-4H3