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

Systemtic Name: 3-methyl-2-[(E)-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[(E)-2-[5-(2-nitrophenyl)-2-furyl]vinyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[(E)-2-[5-(2-nitrophenyl)-2-furanyl]ethenyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(E)-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[(E)-2-[5-(2-nitrophenyl)-2-furyl]vinyl]-1,3-benzothiazol-3-ium Formula: C20H15N2O3S+ MolecularWeight: 363.4097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N2O3S/c1-21-17-8-4-5-9-19(17)26-20(21)13-11-14-10-12-18(25-14)15-6-2-3-7-16(15)22(23)24/h2-13H,1H3/q+1/b13-11+