5-hexyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-hexyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-hexyl-1H-1,2,4-triazole CAS Name: 5-hexyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-hexyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-hexyl-1H-1,2,4-triazole Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C15H21N3S/c1-2-3-4-8-11-14-16-15(18-17-14)19-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,16,17,18)