1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-(4-indan-5-ylsulfanyl-3-nitro-phenyl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(indan-5-ylthio)-3-nitro-phenyl]ethanone Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO3S/c1-11(19)13-6-8-17(16(10-13)18(20)21)22-15-7-5-12-3-2-4-14(12)9-15/h5-10H,2-4H2,1H3