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

Systemtic Name: 1-[(3E,5E)-4-chloranyl-6-nitro-hexa-3,5-dien-3-yl]sulfanyl-4-methyl-benzene Openeye Name: 1-[(1E,3E)-2-chloro-1-ethyl-4-nitro-buta-1,3-dienyl]sulfanyl-4-methyl-benzene CAS Name: 1-[[(3E,5E)-4-chloro-6-nitrohexa-3,5-dien-3-yl]thio]-4-methylbenzene IUPAC Name: 1-[(3E,5E)-4-chloro-6-nitrohexa-3,5-dien-3-yl]sulfanyl-4-methylbenzene Traditional Name: 1-[[(1E,3E)-2-chloro-1-ethyl-4-nitro-buta-1,3-dienyl]thio]-4-methyl-benzene Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C=C[N+](=O)[O-])Cl)SC1=CC=C(C=C1)C

Isomeric SMILES

CC/C(=C(/C=C/[N+](=O)[O-])\Cl)/SC1=CC=C(C=C1)C

InChI

InChI=1S/C13H14ClNO2S/c1-3-13(12(14)8-9-15(16)17)18-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+,13-12+