5-octylsulfanyl-1-phenyl-1,2,4-triazol-3-amine

Systemtic Name: 5-octylsulfanyl-1-phenyl-1,2,4-triazol-3-amine Openeye Name: 5-octylsulfanyl-1-phenyl-1,2,4-triazol-3-amine CAS Name: 5-(octylthio)-1-phenyl-1,2,4-triazol-3-amine IUPAC Name: 5-octylsulfanyl-1-phenyl-1,2,4-triazol-3-amine Traditional Name: [5-(octylthio)-1-phenyl-1,2,4-triazol-3-yl]amine Formula: C16H24N4S MolecularWeight: 304.45356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NN1C2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCSC1=NC(=NN1C2=CC=CC=C2)N

InChI

InChI=1S/C16H24N4S/c1-2-3-4-5-6-10-13-21-16-18-15(17)19-20(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H2,17,19)