1-[(3E,5E)-4-chloranyl-2,2-dimethyl-6-nitro-hexa-3,5-dien-3-yl]sulfanyl-4-methyl-benzene

Systemtic Name: 1-[(3E,5E)-4-chloranyl-2,2-dimethyl-6-nitro-hexa-3,5-dien-3-yl]sulfanyl-4-methyl-benzene Openeye Name: 1-[(1E,3E)-1-tert-butyl-2-chloro-4-nitro-buta-1,3-dienyl]sulfanyl-4-methyl-benzene CAS Name: 1-[[(3E,5E)-4-chloro-2,2-dimethyl-6-nitrohexa-3,5-dien-3-yl]thio]-4-methylbenzene IUPAC Name: 1-[(3E,5E)-4-chloro-2,2-dimethyl-6-nitrohexa-3,5-dien-3-yl]sulfanyl-4-methylbenzene Traditional Name: 1-[[(1E,3E)-1-tert-butyl-2-chloro-4-nitro-buta-1,3-dienyl]thio]-4-methyl-benzene Formula: C15H18ClNO2S MolecularWeight: 311.82692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=C(C=C[N+](=O)[O-])Cl)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C(\C=C\[N+](=O)[O-])/Cl)/C(C)(C)C

InChI

InChI=1S/C15H18ClNO2S/c1-11-5-7-12(8-6-11)20-14(15(2,3)4)13(16)9-10-17(18)19/h5-10H,1-4H3/b10-9+,14-13+