4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-oxan-2-yl]methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-oxan-2-yl]methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-oxanyl]methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-oxan-2-yl]methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-phenyl-4-piperonyl-5-[[(2R)-tetrahydropyran-2-yl]methylthio]-1,2,4-triazole Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCO[C@H](C1)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3S/c1-2-6-17(7-3-1)21-23-24-22(29-14-18-8-4-5-11-26-18)25(21)13-16-9-10-19-20(12-16)28-15-27-19/h1-3,6-7,9-10,12,18H,4-5,8,11,13-15H2/t18-/m1/s1