2-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: 2-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: 2-[(4-isopropyl-3-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: 2-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[(3-nitro-4-propan-2-ylphenyl)methylidene]-1-benzothiophen-3-one Traditional Name: 2-(4-isopropyl-3-nitro-benzylidene)benzothiophen-3-one Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO3S/c1-11(2)13-8-7-12(9-15(13)19(21)22)10-17-18(20)14-5-3-4-6-16(14)23-17/h3-11H,1-2H3