3-chloranyl-2-(2-imidazol-1-ylethylsulfanyl)aniline

Systemtic Name: 3-chloranyl-2-(2-imidazol-1-ylethylsulfanyl)aniline Openeye Name: 3-chloro-2-(2-imidazol-1-ylethylsulfanyl)aniline CAS Name: 3-chloro-2-[2-(1-imidazolyl)ethylthio]aniline IUPAC Name: 3-chloro-2-(2-imidazol-1-ylethylsulfanyl)aniline Traditional Name: [3-chloro-2-(2-imidazol-1-ylethylthio)phenyl]amine Formula: C11H12ClN3S MolecularWeight: 253.75108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SCCN2C=CN=C2)N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SCCN2C=CN=C2)N

InChI

InChI=1S/C11H12ClN3S/c12-9-2-1-3-10(13)11(9)16-7-6-15-5-4-14-8-15/h1-5,8H,6-7,13H2