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

Systemtic Name: (2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[(2-ethyl-1-phenyl-4-quinazolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(2-ethyl-1-phenylquinazolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(2-ethyl-1-phenyl-quinazolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C25H22N3S+ MolecularWeight: 396.52728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N3S/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/q+1