5-methyl-2-[(E)-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5-methyl-2-[(E)-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]-5-methyl-1,3-benzothiazole CAS Name: 5-methyl-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1,3-benzothiazole IUPAC Name: 5-methyl-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]-5-methyl-1,3-benzothiazole Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C=CC3=CC(=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)/C=C/C3=CC(=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O2S/c1-12(2)15-7-5-14(11-17(15)21(22)23)6-9-19-20-16-10-13(3)4-8-18(16)24-19/h4-12H,1-3H3/b9-6+