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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25N3S/c1-15-8-6-7-9-18(15)19-22-23-20(24(19)5)25-14-16-10-12-17(13-11-16)21(2,3)4/h6-13H,14H2,1-5H3