1-nitro-3-(phenylsulfanylmethyl)azulene

Systemtic Name: 1-nitro-3-(phenylsulfanylmethyl)azulene Openeye Name: 1-nitro-3-(phenylsulfanylmethyl)azulene CAS Name: 1-nitro-3-[(phenylthio)methyl]azulene IUPAC Name: 1-nitro-3-(phenylsulfanylmethyl)azulene Traditional Name: 1-nitro-3-[(phenylthio)methyl]azulene Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC(=C3C2=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC(=C3C2=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO2S/c19-18(20)17-11-13(12-21-14-7-3-1-4-8-14)15-9-5-2-6-10-16(15)17/h1-11H,12H2