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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O3S2/c1-24-17-19-13-8-7-12(10-15(13)25-17)18-16(21)9-6-11-4-2-3-5-14(11)20(22)23/h2-10H,1H3,(H,18,21)/b9-6+