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

Systemtic Name: 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]-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-isopropyl-3-nitro-phenyl)vinyl]-1,3-benzothiazole Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O2S/c1-12(2)14-9-7-13(11-16(14)20(21)22)8-10-18-19-15-5-3-4-6-17(15)23-18/h3-12H,1-2H3/b10-8+