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

Systemtic Name: (E)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)acrylamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S2/c1-26-13-12-21-16-4-2-3-5-17(16)27-19(21)20-18(23)11-8-14-6-9-15(10-7-14)22(24)25/h2-11H,12-13H2,1H3/b11-8+,20-19?