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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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