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

Systemtic Name: 3-butoxy-N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-butoxy-N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-butoxy-N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-butoxy-N-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-butoxy-N-[5-(2-chlorobenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O4S2/c1-2-3-11-28-16-9-6-8-14(12-16)18(25)22-19-23-24-20(29-19)30(26,27)13-15-7-4-5-10-17(15)21/h4-10,12H,2-3,11,13H2,1H3,(H,22,23,25)