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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-5-methyl-1H-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-5-methyl-1H-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-5-methyl-1H-1,2,4-triazole Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NNC(=N2)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NNC(=N2)C)C

InChI

InChI=1S/C12H15N3S/c1-8-4-9(2)6-11(5-8)7-16-12-13-10(3)14-15-12/h4-6H,7H2,1-3H3,(H,13,14,15)