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

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC#C

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC#C

InChI

InChI=1S/C14H13N3O3S/c1-3-5-13(18)15-14-16(8-4-2)11-9-10(17(19)20)6-7-12(11)21-14/h2,6-7,9H,3,5,8H2,1H3