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

Systemtic Name: 4-ethyl-3-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-methyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-methyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C)C

InChI

InChI=1S/C13H17N3S/c1-4-16-11(3)14-15-13(16)17-9-12-8-6-5-7-10(12)2/h5-8H,4,9H2,1-3H3