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

Systemtic Name: 5-octyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-octyl-1H-1,2,4-triazole CAS Name: 5-octyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-octyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-octyl-1H-1,2,4-triazole Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3S/c1-2-3-4-5-6-10-13-16-18-17(20-19-16)21-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,18,19,20)