N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-fluoro-3-methyl-benzothiophene-2-carboxamide Formula: C20H13FN4OS3 MolecularWeight: 440.536823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13FN4OS3/c1-11-16-14(21)3-2-4-15(16)28-17(11)18(26)23-19-24-25-20(29-19)27-10-13-7-5-12(9-22)6-8-13/h2-8H,10H2,1H3,(H,23,24,26)