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

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pentanamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)valeramide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-3-5-6-14(19)16-15-17(9-4-2)12-10-11(18(20)21)7-8-13(12)22-15/h2,7-8,10H,3,5-6,9H2,1H3