2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

InChI

InChI=1S/C23H24N4O3S/c28-19(17-6-7-20-21(14-17)30-13-12-29-20)15-31-23-26-25-22(16-8-10-24-11-9-16)27(23)18-4-2-1-3-5-18/h6-11,14,18H,1-5,12-13,15H2