2-[(Z)-2-chloranyl-2-thiophen-2-yl-ethenyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride

Systemtic Name: 2-[(Z)-2-chloranyl-2-thiophen-2-yl-ethenyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride Openeye Name: 2-[(Z)-2-chloro-2-(2-thienyl)vinyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride CAS Name: 2-[(Z)-2-chloro-2-thiophen-2-ylethenyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride IUPAC Name: 2-[(Z)-2-chloro-2-thiophen-2-ylethenyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride Traditional Name: 2-[(Z)-2-chloro-2-(2-thienyl)vinyl]-3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium chloride Formula: C16H15Cl2NOSSe MolecularWeight: 419.2274

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)C=C(C3=CC=CS3)Cl.[Cl-]

Isomeric SMILES

CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)/C=C(/C3=CC=CS3)\Cl.[Cl-]

InChI

InChI=1S/C16H15ClNOSSe.ClH/c1-3-18-13-9-11(19-2)6-7-15(13)21-16(18)10-12(17)14-5-4-8-20-14;/h4-10H,3H2,1-2H3;1H/q+1;/p-1/b12-10-;