5-ethyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(2-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=CC=C2C

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=CC=C2C

InChI

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