(5-bromanylthiophen-2-yl)methyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-ethyl-ammonium Formula: C16H16BrClN3OS+ MolecularWeight: 413.73974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H15BrClN3OS/c1-2-21(9-13-5-6-15(17)23-13)10-16(22)20-12-4-3-11(8-19)14(18)7-12/h3-7H,2,9-10H2,1H3,(H,20,22)/p+1