2-(2,5-dimethyl-4-nitro-phenyl)-1-benzothiophene

Systemtic Name: 2-(2,5-dimethyl-4-nitro-phenyl)-1-benzothiophene Openeye Name: 2-(2,5-dimethyl-4-nitro-phenyl)benzothiophene CAS Name: 2-(2,5-dimethyl-4-nitrophenyl)-1-benzothiophene IUPAC Name: 2-(2,5-dimethyl-4-nitrophenyl)-1-benzothiophene Traditional Name: 2-(2,5-dimethyl-4-nitro-phenyl)benzothiophene Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO2S/c1-10-8-14(17(18)19)11(2)7-13(10)16-9-12-5-3-4-6-15(12)20-16/h3-9H,1-2H3