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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O3S/c29-21(24-14-17-9-10-19-20(13-17)31-16-30-19)15-32-23-26-25-22(27-11-5-2-6-12-27)28(23)18-7-3-1-4-8-18/h1,3-4,7-10,13H,2,5-6,11-12,14-16H2,(H,24,29)