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

Systemtic Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H25N5O5S3 MolecularWeight: 475.6059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O5S3/c1-4-21(5-2)30(25,26)13-8-9-15(14(12-13)22(23)24)28-17-20-19-16(29-17)18-10-7-11-27-6-3/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,19)