3-[(2-nitrophenyl)methyl]-7-thiabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 3-[(2-nitrophenyl)methyl]-7-thiabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 3-[(2-nitrophenyl)methyl]-7-thiabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 3-[(2-nitrophenyl)methyl]-7-thiabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 3-[(2-nitrophenyl)methyl]-7-thiabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 3-(2-nitrobenzyl)-7-thiabicyclo[2.2.1]hepta-1,3,5-triene Formula: C13H9NO2S MolecularWeight: 243.28106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C3C=CC(=C2)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C3C=CC(=C2)S3)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO2S/c15-14(16)12-4-2-1-3-9(12)7-10-8-11-5-6-13(10)17-11/h1-6,8H,7H2