2-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]thiophene

Systemtic Name: 2-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]thiophene Openeye Name: 2-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitro-buta-1,3-dienyl]thiophene CAS Name: 2-[(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]thiophene IUPAC Name: 2-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]thiophene Traditional Name: 2-[(1E,3E)-3-besyl-4-(methylthio)-2-nitro-buta-1,3-dienyl]thiophene Formula: C15H13NO4S3 MolecularWeight: 367.46302

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Descriptors Computed from Structure

Canonical SMILES:

CSC=C(C(=CC1=CC=CS1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CS/C=C(\C(=C/C1=CC=CS1)\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO4S3/c1-21-11-15(23(19,20)13-7-3-2-4-8-13)14(16(17)18)10-12-6-5-9-22-12/h2-11H,1H3/b14-10+,15-11+