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

Systemtic Name: N-tert-butyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C13H17N5O4S3 MolecularWeight: 403.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O4S3/c1-13(2,3)17-25(21,22)8-5-6-10(9(7-8)18(19)20)23-12-16-15-11(14-4)24-12/h5-7,17H,1-4H3,(H,14,15)