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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-ethanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-acetamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenyl-acetamide Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H13N3O3S/c1-2-10-20-15-9-8-14(21(23)24)12-16(15)25-18(20)19-17(22)11-13-6-4-3-5-7-13/h1,3-9,12H,10-11H2