2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-chloranyl-aniline

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-chloranyl-aniline Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-chloro-aniline CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-chloroaniline IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-chloroaniline Traditional Name: [3-chloro-2-(piperonylthio)phenyl]amine Formula: C14H12ClNO2S MolecularWeight: 293.76858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=C(C=CC=C3Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=C(C=CC=C3Cl)N

InChI

InChI=1S/C14H12ClNO2S/c15-10-2-1-3-11(16)14(10)19-7-9-4-5-12-13(6-9)18-8-17-12/h1-6H,7-8,16H2