N-[4-(1-adamantyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CN5C(=NNC5=S)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CN5C(=NNC5=S)C6=CC=CS6

InChI

InChI=1S/C24H26N4OS2/c29-21(14-28-22(26-27-23(28)30)20-2-1-7-31-20)25-19-5-3-18(4-6-19)24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,15-17H,8-14H2,(H,25,29)(H,27,30)