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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(p-tolyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-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)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C

InChI

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