N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propanamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propanamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propionamide Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H15N3O3S/c1-2-12-21-16-10-9-15(22(24)25)13-17(16)26-19(21)20-18(23)11-8-14-6-4-3-5-7-14/h1,3-7,9-10,13H,8,11-12H2