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

Systemtic Name: 3-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]thiophene Openeye Name: 3-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitro-buta-1,3-dienyl]thiophene CAS Name: 3-[(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]thiophene IUPAC Name: 3-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]thiophene Traditional Name: 3-[(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=CSC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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