2-[(4-cyano-1-oxidanylidene-pyrimido[6,1-b][1,3]benzothiazol-3-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-cyano-1-oxidanylidene-pyrimido[6,1-b][1,3]benzothiazol-3-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyano-1-oxo-pyrimido[6,1-b][1,3]benzothiazol-3-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-cyano-1-oxo-3-pyrimido[6,1-b][1,3]benzothiazolyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyano-1-oxopyrimido[6,1-b][1,3]benzothiazol-3-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyano-1-keto-pyrimido[6,1-b][1,3]benzothiazol-3-yl)amino]ethyl-diethyl-ammonium Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC(=O)N2C3=CC=CC=C3SC2=C1C#N

Isomeric SMILES

CC[NH+](CC)CCNC1=NC(=O)N2C3=CC=CC=C3SC2=C1C#N

InChI

InChI=1S/C17H19N5OS/c1-3-21(4-2)10-9-19-15-12(11-18)16-22(17(23)20-15)13-7-5-6-8-14(13)24-16/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,23)/p+1