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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-4,5-dimethyl-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(N2C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(N2C)C)C

InChI

InChI=1S/C13H17N3S/c1-9-5-10(2)7-12(6-9)8-17-13-15-14-11(3)16(13)4/h5-7H,8H2,1-4H3