2-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Systemtic Name: 2-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one Openeye Name: 2-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one CAS Name: 2-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-thiazolo[3,2-a]benzimidazolone IUPAC Name: 2-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one Traditional Name: 2-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)thiazolo[3,2-a]benzimidazol-1-one Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Br)OCC#C

InChI

InChI=1S/C21H15BrN2O3S/c1-3-9-27-19-14(22)10-13(11-17(19)26-4-2)12-18-20(25)24-16-8-6-5-7-15(16)23-21(24)28-18/h1,5-8,10-12H,4,9H2,2H3