N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenyl-ethanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenyl-ethanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenyl-acetamide CAS Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenylacetamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenylacetamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-phenyl-acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S2/c1-25-10-9-20-15-8-7-14(21(23)24)12-16(15)26-18(20)19-17(22)11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3