N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C18H13N3O4S3 MolecularWeight: 431.50852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H13N3O4S3/c1-2-26-18-21-20-17(27-18)19-16(23)10-7-8-12-14(9-10)28(24,25)13-6-4-3-5-11(13)15(12)22/h3-9H,2H2,1H3,(H,19,20,23)