N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(2,6-dimethylphenyl)-3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (2,6-dimethylphenyl)-[3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC(=NN2)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC(=NN2)SCC3=CC=CC=C3C

InChI

InChI=1S/C18H20N4S/c1-12-7-4-5-10-15(12)11-23-18-20-17(21-22-18)19-16-13(2)8-6-9-14(16)3/h4-10H,11H2,1-3H3,(H2,19,20,21,22)