4-nitro-6-[[2-(phenylmethylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[[2-(phenylmethylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2-benzylsulfanylethylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-nitro-6-[[2-(phenylmethylthio)ethylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2-benzylsulfanylethylamino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(benzylthio)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c19-16-7-6-15(18(20)21)10-14(16)11-17-8-9-22-12-13-4-2-1-3-5-13/h1-7,10-11,17H,8-9,12H2