6-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-11-18(12(2)21-20-11)26-17-6-4-3-5-15(17)19-10-13-9-14(22(24)25)7-8-16(13)23/h3-10,19H,1-2H3,(H,20,21)