N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide Formula: C18H10N4O3S2 MolecularWeight: 394.427

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H10N4O3S2/c1-2-7-21-14-6-4-12(22(24)25)9-16(14)27-18(21)20-17(23)11-3-5-13-15(8-11)26-10-19-13/h1,3-6,8-10H,7H2