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

Systemtic Name: N-tert-butyl-3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide Traditional Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C15H19N5O4S3 MolecularWeight: 429.53746

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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)NCC=C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O4S3/c1-5-8-16-13-17-18-14(26-13)25-12-7-6-10(9-11(12)20(21)22)27(23,24)19-15(2,3)4/h5-7,9,19H,1,8H2,2-4H3,(H,16,17)