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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(m-tolyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(m-tolyl)-4-phenyl-1,2,4-triazole Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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