3-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(3,5-dimethylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C11H14N4S MolecularWeight: 234.32066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=CN2N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=CN2N)C

InChI

InChI=1S/C11H14N4S/c1-8-3-9(2)5-10(4-8)6-16-11-14-13-7-15(11)12/h3-5,7H,6,12H2,1-2H3