N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

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