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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NN=CN2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NN=CN2C)C

InChI

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