2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol Traditional Name: 1-phenyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]ethanol Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c28-20(18-7-3-1-4-8-18)15-31-24-26-25-23(19-9-5-2-6-10-19)27(24)14-17-11-12-21-22(13-17)30-16-29-21/h1-13,20,28H,14-16H2