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

Systemtic Name: 5-ethyl-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-(m-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(3-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(3-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(=C2)C

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=CC(=C2)C

InChI

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