N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-benzoyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-benzoyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzoyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C24H15N3O4S MolecularWeight: 441.4586

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H15N3O4S/c1-2-14-26-20-13-12-19(27(30)31)15-21(20)32-24(26)25-23(29)18-10-8-17(9-11-18)22(28)16-6-4-3-5-7-16/h1,3-13,15H,14H2