3-cyano-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-cyano-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-cyano-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-cyano-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-cyano-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-cyano-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H22N4OS/c1-2-3-4-5-6-7-11-16-21-22-18(24-16)20-17(23)15-10-8-9-14(12-15)13-19/h8-10,12H,2-7,11H2,1H3,(H,20,22,23)