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

Systemtic Name: 3-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-ethyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-ethyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-ethyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=CC=CC=C2C

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=CC=CC=C2C

InChI

InChI=1S/C12H16N4S/c1-3-11-14-15-12(16(11)13)17-8-10-7-5-4-6-9(10)2/h4-7H,3,8,13H2,1-2H3