N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Formula: C18H10N4O3S2 MolecularWeight: 394.427

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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