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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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