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

Systemtic Name: 6-[[2-[(4-methylphenyl)methylsulfanyl]ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-nitro-6-[[2-(p-tolylmethylsulfanyl)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(4-methylphenyl)methylthio]ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[(4-methylphenyl)methylsulfanyl]ethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(4-methylbenzyl)thio]ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-13-2-4-14(5-3-13)12-23-9-8-18-11-15-10-16(19(21)22)6-7-17(15)20/h2-7,10-11,18H,8-9,12H2,1H3