3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furanyl]ethenyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]-1,3-benzothiazol-3-ium Formula: C21H17N2O3S+ MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N2O3S/c1-2-22-18-5-3-4-6-20(18)27-21(22)14-12-17-11-13-19(26-17)15-7-9-16(10-8-15)23(24)25/h3-14H,2H2,1H3/q+1/b14-12+