N-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methylsulfanylaniline Traditional Name: (3-chloro-4,5-dimethoxy-benzyl)-[3-(methylthio)phenyl]amine Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)SC)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)SC)Cl)OC

InChI

InChI=1S/C16H18ClNO2S/c1-19-15-8-11(7-14(17)16(15)20-2)10-18-12-5-4-6-13(9-12)21-3/h4-9,18H,10H2,1-3H3