N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-morpholinosulfonyl-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-morpholinosulfonyl-benzamide Formula: C21H18FN5O4S3 MolecularWeight: 519.592123

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C21H18FN5O4S3/c22-17-6-5-16(11-18(17)34(29,30)27-7-9-31-10-8-27)19(28)24-20-25-26-21(33-20)32-13-15-3-1-14(12-23)2-4-15/h1-6,11H,7-10,13H2,(H,24,25,28)