4-butyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-butyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-butyl-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-butyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-butyl-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4OS/c1-2-3-4-13-5-7-14(8-6-13)16(23)20-18-22-21-17(24-18)15-9-11-19-12-10-15/h5-12H,2-4H2,1H3,(H,20,22,23)