1-nitro-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)sulfanyl-benzene

Systemtic Name: 1-nitro-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)sulfanyl-benzene Openeye Name: 1-nitro-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)sulfanyl-benzene CAS Name: 1-nitro-2-[(1,2,3,4,5-pentamethyl-1-cyclopenta-2,4-dienyl)thio]benzene IUPAC Name: 1-nitro-2-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)sulfanylbenzene Traditional Name: 1-nitro-2-[(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)thio]benzene Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C1C)C)(C)SC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(C(=C1C)C)(C)SC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H19NO2S/c1-10-11(2)13(4)16(5,12(10)3)20-15-9-7-6-8-14(15)17(18)19/h6-9H,1-5H3