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

Systemtic Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C11H13N5O4S3 MolecularWeight: 375.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4S3/c1-3-13-10-14-15-11(22-10)21-9-5-4-7(23(19,20)12-2)6-8(9)16(17)18/h4-6,12H,3H2,1-2H3,(H,13,14)