N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine

Systemtic Name: N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine Openeye Name: N-[(3-nitrophenyl)methyl]-5-(2-thienyl)-1H-1,2,4-triazol-3-amine CAS Name: N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine IUPAC Name: N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazol-3-amine Traditional Name: (3-nitrobenzyl)-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]amine Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C13H11N5O2S/c19-18(20)10-4-1-3-9(7-10)8-14-13-15-12(16-17-13)11-5-2-6-21-11/h1-7H,8H2,(H2,14,15,16,17)