5-heptan-2-yl-3-[(phenylmethyl)disulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-heptan-2-yl-3-[(phenylmethyl)disulfanyl]-1H-1,2,4-triazole Openeye Name: 3-(benzyldisulfanyl)-5-(1-methylhexyl)-1H-1,2,4-triazole CAS Name: 5-heptan-2-yl-3-[(phenylmethyl)disulfanyl]-1H-1,2,4-triazole IUPAC Name: 3-(benzyldisulfanyl)-5-heptan-2-yl-1H-1,2,4-triazole Traditional Name: 3-(benzyldisulfanyl)-5-(1-methylhexyl)-1H-1,2,4-triazole Formula: C16H23N3S2 MolecularWeight: 321.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=NC(=NN1)SSCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)C1=NC(=NN1)SSCC2=CC=CC=C2

InChI

InChI=1S/C16H23N3S2/c1-3-4-6-9-13(2)15-17-16(19-18-15)21-20-12-14-10-7-5-8-11-14/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3,(H,17,18,19)