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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C24H26N4O3S MolecularWeight: 450.55324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3S/c29-22(25-14-17-11-12-20-21(13-17)31-16-30-20)15-32-24-27-26-23(18-7-3-1-4-8-18)28(24)19-9-5-2-6-10-19/h2,5-6,9-13,18H,1,3-4,7-8,14-16H2,(H,25,29)