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

Systemtic Name: 5-pentadecyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-pentadecyl-1H-1,2,4-triazole CAS Name: 5-pentadecyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-pentadecyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-pentadecyl-1H-1,2,4-triazole Formula: C24H39N3S MolecularWeight: 401.65156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C24H39N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-25-24(27-26-23)28-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,25,26,27)