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

Systemtic Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(3-ethoxypropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C14H19N5O5S3 MolecularWeight: 433.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O5S3/c1-3-24-8-4-7-16-13-17-18-14(26-13)25-12-6-5-10(27(22,23)15-2)9-11(12)19(20)21/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)