1-(1,3-benzodioxol-5-ylmethoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: 1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-piperonyloxy-propan-2-ol Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H21N3O4S/c1-14-21-22-20(23(14)16-5-3-2-4-6-16)28-12-17(24)11-25-10-15-7-8-18-19(9-15)27-13-26-18/h2-9,17,24H,10-13H2,1H3