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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4,5-bis(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)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)C(C)(C)C

InChI

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