5,6-dimethyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5,6-dimethyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole Openeye Name: 5,6-dimethyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-1,3-benzothiazole CAS Name: 5,6-dimethyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole IUPAC Name: 5,6-dimethyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole Traditional Name: 5,6-dimethyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-1,3-benzothiazole Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H14N2O4S/c1-10-5-13-17(6-11(10)2)25-18(19-13)4-3-12-7-15-16(24-9-23-15)8-14(12)20(21)22/h3-8H,9H2,1-2H3/b4-3+