3-(ethylcarbamothioylamino)-5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzenesulfonic acid

Systemtic Name: 3-(ethylcarbamothioylamino)-5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzenesulfonic acid Openeye Name: 3-(ethylcarbamothioylamino)-5-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonic acid CAS Name: 3-[[ethylamino(sulfanylidene)methyl]amino]-5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzenesulfonic acid IUPAC Name: 3-(ethylcarbamothioylamino)-5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzenesulfonic acid Traditional Name: 3-(ethylthiocarbamoylamino)-5-(2-thioxo-3H-1,3,4-oxadiazol-5-yl)besylic acid Formula: C11H12N4O4S3 MolecularWeight: 360.43238

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC(=CC(=C1)C2=NNC(=S)O2)S(=O)(=O)O

Isomeric SMILES

CCNC(=S)NC1=CC(=CC(=C1)C2=NNC(=S)O2)S(=O)(=O)O

InChI

InChI=1S/C11H12N4O4S3/c1-2-12-10(20)13-7-3-6(9-14-15-11(21)19-9)4-8(5-7)22(16,17)18/h3-5H,2H2,1H3,(H,15,21)(H2,12,13,20)(H,16,17,18)