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

Systemtic Name: 5-(cyclopentylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(cyclopentylmethyl)-3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(cyclopentylmethyl)-3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(cyclopentylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(cyclopentylmethyl)-3-[(2-methylbenzyl)thio]-1H-1,2,4-triazole Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C16H21N3S/c1-12-6-2-5-9-14(12)11-20-16-17-15(18-19-16)10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,17,18,19)