N-[5-[(6,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[5-[(6,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[5-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-benzamide CAS Name: N-[5-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide IUPAC Name: N-[5-[(6,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[5-[(4-keto-6,8-dimethyl-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H17FN4O2S2 MolecularWeight: 440.513683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H17FN4O2S2/c1-11-7-12(2)18-16(8-11)17(27)9-15(23-18)10-29-21-26-25-20(30-21)24-19(28)13-3-5-14(22)6-4-13/h3-9H,10H2,1-2H3,(H,23,27)(H,24,25,28)