2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5)C

InChI

InChI=1S/C24H26N4O3S/c1-16-6-9-19(10-7-16)28-17(2)26-27-23(28)32-15-22(29)25-18-8-11-20-21(14-18)31-24(30-20)12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,29)