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

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H19N3O4S2/c1-3-12(4-2)20-23-24-21(29-20)22-19(26)13-9-10-15-17(11-13)30(27,28)16-8-6-5-7-14(16)18(15)25/h5-12H,3-4H2,1-2H3,(H,22,24,26)