2-(3-nitro-4-propan-2-yl-phenyl)-1,3-benzothiazole

Systemtic Name: 2-(3-nitro-4-propan-2-yl-phenyl)-1,3-benzothiazole Openeye Name: 2-(4-isopropyl-3-nitro-phenyl)-1,3-benzothiazole CAS Name: 2-(3-nitro-4-propan-2-ylphenyl)-1,3-benzothiazole IUPAC Name: 2-(3-nitro-4-propan-2-ylphenyl)-1,3-benzothiazole Traditional Name: 2-(4-isopropyl-3-nitro-phenyl)-1,3-benzothiazole Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S/c1-10(2)12-8-7-11(9-14(12)18(19)20)16-17-13-5-3-4-6-15(13)21-16/h3-10H,1-2H3