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

Systemtic Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H23N5O4S3 MolecularWeight: 445.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4S3/c1-4-7-10-17-15-18-19-16(27-15)26-14-9-8-12(11-13(14)21(22)23)28(24,25)20(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)