N-tert-butyl-3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide Traditional Name: N-tert-butyl-4-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C15H21N5O4S3 MolecularWeight: 431.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O4S3/c1-9(2)16-13-17-18-14(26-13)25-12-7-6-10(8-11(12)20(21)22)27(23,24)19-15(3,4)5/h6-9,19H,1-5H3,(H,16,17)