N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C20H18FN5O4S2 MolecularWeight: 475.516423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN5O4S2/c21-14-3-1-13(2-4-14)12-31-20-24-23-19(32-20)22-18(27)16-11-15(26(28)29)5-6-17(16)25-7-9-30-10-8-25/h1-6,11H,7-10,12H2,(H,22,23,27)