2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O3S/c1-2-3-12-24-16-8-4-14(5-9-16)6-11-19-20-17-13-15(21(22)23)7-10-18(17)25-19/h4-11,13H,2-3,12H2,1H3/b11-6+