4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-2-3-11-27-16-9-7-13(8-10-16)17(24)20-19-22-21-18(28-19)14-5-4-6-15(12-14)23(25)26/h4-10,12H,2-3,11H2,1H3,(H,20,22,24)