3-[3-(4-nitrophenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[3-(4-nitrophenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[3-(4-nitrophenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[3-(4-nitrophenoxy)propylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[3-(4-nitrophenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[3-(4-nitrophenoxy)propylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCCCSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCCSC2=NNC(=N2)N

InChI

InChI=1S/C11H13N5O3S/c12-10-13-11(15-14-10)20-7-1-6-19-9-4-2-8(3-5-9)16(17)18/h2-5H,1,6-7H2,(H3,12,13,14,15)