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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H17N3O4S2/c1-2-3-8-17-22-23-20(28-17)21-19(25)12-9-10-14-16(11-12)29(26,27)15-7-5-4-6-13(15)18(14)24/h4-7,9-11H,2-3,8H2,1H3,(H,21,23,25)