N-(2-fluoranyl-4-methyl-phenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(2-fluoro-4-methyl-phenyl)benzamide CAS Name: N-(2-fluoro-4-methylphenyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(2-fluoro-4-methylphenyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(2-fluoro-4-methyl-phenyl)benzamide Formula: C23H18FN3OS3 MolecularWeight: 467.601923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4)F

InChI

InChI=1S/C23H18FN3OS3/c1-15-7-12-20(19(24)13-15)25-21(28)17-8-10-18(11-9-17)27-23(29)31-22(26-27)30-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,28)