(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-quinazolin-4-ylsulfanyl-propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-quinazolin-4-ylsulfanyl-propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-quinazolin-4-ylsulfanyl-propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-quinazolinylthio)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-quinazolin-4-ylsulfanylpropan-2-ol Traditional Name: (2S)-1-piperonyloxy-3-(quinazolin-4-ylthio)propan-2-ol Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC(CSC3=NC=NC4=CC=CC=C43)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC[C@@H](CSC3=NC=NC4=CC=CC=C43)O

InChI

InChI=1S/C19H18N2O4S/c22-14(9-23-8-13-5-6-17-18(7-13)25-12-24-17)10-26-19-15-3-1-2-4-16(15)20-11-21-19/h1-7,11,14,22H,8-10,12H2/t14-/m0/s1