2-[4-(methylsulfanylmethyl)phenyl]-2-nitro-3H-1-benzofuran

Systemtic Name: 2-[4-(methylsulfanylmethyl)phenyl]-2-nitro-3H-1-benzofuran Openeye Name: 2-[4-(methylsulfanylmethyl)phenyl]-2-nitro-3H-benzofuran CAS Name: 2-[4-[(methylthio)methyl]phenyl]-2-nitro-3H-benzofuran IUPAC Name: 2-[4-(methylsulfanylmethyl)phenyl]-2-nitro-3H-1-benzofuran Traditional Name: 2-[4-[(methylthio)methyl]phenyl]-2-nitro-coumaran Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C2(CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=C(C=C1)C2(CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO3S/c1-21-11-12-6-8-14(9-7-12)16(17(18)19)10-13-4-2-3-5-15(13)20-16/h2-9H,10-11H2,1H3