(2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole chloride

Systemtic Name: (2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole chloride Openeye Name: (2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole chloride CAS Name: (2Z)-2-[(2-ethyl-1-phenyl-4-quinazolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole chloride IUPAC Name: (2Z)-2-[(2-ethyl-1-phenylquinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole chloride Traditional Name: (2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole chloride Formula: C25H22ClN3S MolecularWeight: 431.98028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2C(=N1)C=C3N(C4=CC=CC=C4S3)C)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2C(=N1)/C=C\3/N(C4=CC=CC=C4S3)C)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C25H22N3S.ClH/c1-3-24-26-20(17-25-27(2)22-15-9-10-16-23(22)29-25)19-13-7-8-14-21(19)28(24)18-11-5-4-6-12-18;/h4-17H,3H2,1-2H3;1H/q+1;/p-1