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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H23N5OS3 MolecularWeight: 457.63522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CN5C(=NNC5=S)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)CN5C(=NNC5=S)C6=CC=CS6

InChI

InChI=1S/C21H23N5OS3/c27-17(10-26-18(24-25-20(26)28)15-2-1-3-29-15)23-19-22-16(11-30-19)21-7-12-4-13(8-21)6-14(5-12)9-21/h1-3,11-14H,4-10H2,(H,25,28)(H,22,23,27)