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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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