N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-ynamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-ynamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-ynamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-propynamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-ynamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propiolamide Formula: C16H9N3O3S MolecularWeight: 323.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O3S/c20-15(9-6-11-4-2-1-3-5-11)18-16-17-13-8-7-12(19(21)22)10-14(13)23-16/h1-5,7-8,10H,(H,17,18,20)