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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-oxolanyl]methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 3-phenyl-4-piperonyl-5-[[(2R)-tetrahydrofuran-2-yl]methylthio]-1,2,4-triazole Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](OC1)CSC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H21N3O3S/c1-2-5-16(6-3-1)20-22-23-21(28-13-17-7-4-10-25-17)24(20)12-15-8-9-18-19(11-15)27-14-26-18/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2/t17-/m1/s1