2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-cyclohexyl-5-piperonyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H28N4O3S/c27-21(25-10-4-5-11-25)14-30-22-24-23-20(26(22)17-6-2-1-3-7-17)13-16-8-9-18-19(12-16)29-15-28-18/h8-9,12,17H,1-7,10-11,13-15H2