N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butanamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butyramide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S2/c1-2-12-22-17-11-10-15(23(25)26)14-18(17)28-20(22)21-19(24)9-6-13-27-16-7-4-3-5-8-16/h1,3-5,7-8,10-11,14H,6,9,12-13H2