1-azanyl-4-[(Z)-1-azanyl-2-(dimethylamino)ethenyl]-2-ethyl-thioxanthen-9-one trihydrochloride

Systemtic Name: 1-azanyl-4-[(Z)-1-azanyl-2-(dimethylamino)ethenyl]-2-ethyl-thioxanthen-9-one trihydrochloride Openeye Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)vinyl]-2-ethyl-thioxanthen-9-one trihydrochloride CAS Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)ethenyl]-2-ethyl-9-thioxanthenone trihydrochloride IUPAC Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)ethenyl]-2-ethylthioxanthen-9-one trihydrochloride Traditional Name: 1-amino-4-[(Z)-1-amino-2-(dimethylamino)vinyl]-2-ethyl-thioxanthen-9-one trihydrochloride Formula: C19H24Cl3N3OS MolecularWeight: 448.83736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1)C(=CN(C)C)N)SC3=CC=CC=C3C2=O)N.Cl.Cl.Cl

Isomeric SMILES

CCC1=C(C2=C(C(=C1)/C(=C/N(C)C)/N)SC3=CC=CC=C3C2=O)N.Cl.Cl.Cl

InChI

InChI=1S/C19H21N3OS.3ClH/c1-4-11-9-13(14(20)10-22(2)3)19-16(17(11)21)18(23)12-7-5-6-8-15(12)24-19;;;/h5-10H,4,20-21H2,1-3H3;3*1H/b14-10-;;;