(E)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)acrylamide Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5S2/c1-29-11-10-21-16-8-7-15(23(27)28)12-17(16)30-19(21)20-18(24)9-4-13-2-5-14(6-3-13)22(25)26/h2-9,12H,10-11H2,1H3/b9-4+,20-19?