3-[2-(4-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[2-(4-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[2-(4-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[2-(4-nitrophenyl)ethylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[2-(4-nitrophenyl)ethylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[2-(4-nitrophenyl)ethylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC2=NNC(=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCSC2=NNC(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C10H11N5O2S/c11-9-12-10(14-13-9)18-6-5-7-1-3-8(4-2-7)15(16)17/h1-4H,5-6H2,(H3,11,12,13,14)