4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]aniline

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]aniline Openeye Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]aniline CAS Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]aniline IUPAC Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]aniline Traditional Name: [4-[(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=C(C=C3)N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=CC=C(C=C3)N)Cl

InChI

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