N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(2-cyanophenyl)sulfanyl-benzamide

Systemtic Name: N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(2-cyanophenyl)sulfanyl-benzamide Openeye Name: N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(2-cyanophenyl)sulfanyl-benzamide CAS Name: N-[3-(1-adamantylthio)-1,2,4-thiadiazol-5-yl]-2-[(2-cyanophenyl)thio]benzamide IUPAC Name: N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(2-cyanophenyl)sulfanylbenzamide Traditional Name: N-[3-(1-adamantylthio)-1,2,4-thiadiazol-5-yl]-2-[(2-cyanophenyl)thio]benzamide Formula: C26H24N4OS3 MolecularWeight: 504.68996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SC4=NSC(=N4)NC(=O)C5=CC=CC=C5SC6=CC=CC=C6C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SC4=NSC(=N4)NC(=O)C5=CC=CC=C5SC6=CC=CC=C6C#N

InChI

InChI=1S/C26H24N4OS3/c27-15-19-5-1-3-7-21(19)32-22-8-4-2-6-20(22)23(31)28-24-29-25(30-34-24)33-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-14H2,(H,28,29,30,31)