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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propanamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propionamide Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H15N3O3S2/c1-2-11-21-16-9-8-14(22(24)25)13-17(16)27-19(21)20-18(23)10-12-26-15-6-4-3-5-7-15/h1,3-9,13H,10-12H2