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

Systemtic Name: N,N-diethyl-3-nitro-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide Formula: C18H21N5O4S4 MolecularWeight: 499.65044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S4/c1-3-22(4-2)31(26,27)14-7-8-16(15(12-14)23(24)25)29-18-21-20-17(30-18)19-10-9-13-6-5-11-28-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20)