(E)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)acrylamide Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S2/c1-24-13-6-7-14-15(10-13)25-17(18-14)19-16(21)8-5-11-3-2-4-12(9-11)20(22)23/h2-10H,1H3,(H,18,19,21)/b8-5+