N-[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]carbamodithioate; 4-pyrrolidin-1-ylpyridin-1-ium

Systemtic Name: N-[4-chloranyl-2-fluoranyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]carbamodithioate; 4-pyrrolidin-1-ylpyridin-1-ium Openeye Name: N-[4-chloro-2-fluoro-5-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]carbamodithioate; 4-pyrrolidin-1-ylpyridin-1-ium CAS Name: N-[4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)thio]phenyl]carbamodithioate; 4-(1-pyrrolidinyl)pyridin-1-ium IUPAC Name: N-[4-chloro-2-fluoro-5-(2-methoxy-2-oxoethyl)sulfanylphenyl]carbamodithioate; 4-pyrrolidin-1-ylpyridin-1-ium Traditional Name: N-[4-chloro-2-fluoro-5-[(2-keto-2-methoxy-ethyl)thio]phenyl]carbamodithioate; 4-pyrrolidinopyridin-1-ium Formula: C19H21ClFN3O2S3 MolecularWeight: 474.035343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C(=C1)NC(=S)[S-])F)Cl.C1CCN(C1)C2=CC=[NH+]C=C2

Isomeric SMILES

COC(=O)CSC1=C(C=C(C(=C1)NC(=S)[S-])F)Cl.C1CCN(C1)C2=CC=[NH+]C=C2

InChI

InChI=1S/C10H9ClFNO2S3.C9H12N2/c1-15-9(14)4-18-8-3-7(13-10(16)17)6(12)2-5(8)11;1-2-8-11(7-1)9-3-5-10-6-4-9/h2-3H,4H2,1H3,(H2,13,16,17);3-6H,1-2,7-8H2