4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-fluoranyl-aniline

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-fluoranyl-aniline Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-fluoro-aniline CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-3-fluoroaniline IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-fluoroaniline Traditional Name: [3-fluoro-4-(piperonylthio)phenyl]amine Formula: C14H12FNO2S MolecularWeight: 277.313983

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=C(C=C(C=C3)N)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=C(C=C(C=C3)N)F

InChI

InChI=1S/C14H12FNO2S/c15-11-6-10(16)2-4-14(11)19-7-9-1-3-12-13(5-9)18-8-17-12/h1-6H,7-8,16H2