2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]aniline

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]aniline Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]aniline CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]aniline IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]aniline Traditional Name: [2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]phenyl]amine Formula: C14H12ClNO2S MolecularWeight: 293.76858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSC3=CC=CC=C3N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=CC=CC=C3N)Cl

InChI

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