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

Systemtic Name: 5-(furan-2-yl)-2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-amine Openeye Name: 5-(2-furyl)-2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-amine CAS Name: 5-(2-furanyl)-2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-amine IUPAC Name: 5-(furan-2-yl)-2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(2-furyl)-2-mesyl-1,2,4-triazol-3-yl]-(3-nitrobenzyl)amine Formula: C14H13N5O5S MolecularWeight: 363.34852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O5S/c1-25(22,23)18-14(16-13(17-18)12-6-3-7-24-12)15-9-10-4-2-5-11(8-10)19(20)21/h2-8H,9H2,1H3,(H,15,16,17)