3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H29N3S/c1-19-10-16-24(17-11-19)30-25(21-12-14-23(15-13-21)27(3,4)5)28-29-26(30)31-18-22-9-7-6-8-20(22)2/h6-17H,18H2,1-5H3