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

Systemtic Name: 2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine Openeye Name: 2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-5-(2-thienyl)-1,2,4-triazol-3-amine CAS Name: 2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine IUPAC Name: 2-methylsulfonyl-N-[(3-nitrophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-amine Traditional Name: [2-mesyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-(3-nitrobenzyl)amine Formula: C14H13N5O4S2 MolecularWeight: 379.41412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S2/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)