4-chloranyl-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-isocyano-aniline

Systemtic Name: 4-chloranyl-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-isocyano-aniline Openeye Name: 4-chloro-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-isocyano-aniline CAS Name: 4-chloro-2-[[2-(dimethylaminomethyl)phenyl]thio]-5-isocyanoaniline IUPAC Name: 4-chloro-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-isocyanoaniline Traditional Name: [2-[(2-amino-5-chloro-4-isocyano-phenyl)thio]benzyl]-dimethyl-amine Formula: C16H16ClN3S MolecularWeight: 317.83634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=C(C=C(C(=C2)Cl)[N+]#[C-])N

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=C(C=C(C(=C2)Cl)[N+]#[C-])N

InChI

InChI=1S/C16H16ClN3S/c1-19-14-9-13(18)16(8-12(14)17)21-15-7-5-4-6-11(15)10-20(2)3/h4-9H,10,18H2,2-3H3