N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CN4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C20H20N4O3S2/c25-17(12-24-18(22-23-19(24)28)16-5-4-10-29-16)21-13-6-7-14-15(11-13)27-20(26-14)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,21,25)(H,23,28)