2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O5S2/c1-22-16(12-30(27,28)15-8-3-2-4-9-15)20-21-18(22)29-11-17(24)19-13-6-5-7-14(10-13)23(25)26/h2-10H,11-12H2,1H3,(H,19,24)