2-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzenesulfonamide Formula: C15H12N4O4S2 MolecularWeight: 376.41018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S2/c20-19(21)12-8-4-5-9-13(12)25(22,23)18-15-17-16-14(24-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)