N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C21H17N7O2S3 MolecularWeight: 495.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H17N7O2S3/c1-2-18-23-25-20(32-18)27-33(29,30)15-10-8-14(9-11-15)28-19(24-26-21(28)31)17-12-7-13-5-3-4-6-16(13)22-17/h3-12H,2H2,1H3,(H,25,27)(H,26,31)