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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O4S3/c1-4-9-16-14-17-18-15(26-14)25-13-8-7-11(10-12(13)20(21)22)27(23,24)19(5-2)6-3/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,16,17)