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

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C19H24N4O3S/c1-2-6-16-21-22-18(27)23(16)12-17(24)20-13-7-8-14-15(11-13)26-19(25-14)9-4-3-5-10-19/h7-8,11H,2-6,9-10,12H2,1H3,(H,20,24)(H,22,27)