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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-4-methyl-5-(p-tolyl)-1,2,4-triazole Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C19H21N3S/c1-13-5-7-17(8-6-13)18-20-21-19(22(18)4)23-12-16-10-14(2)9-15(3)11-16/h5-11H,12H2,1-4H3