3,3-bis(methylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]prop-2-en-1-one

Systemtic Name: 3,3-bis(methylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]prop-2-en-1-one Openeye Name: 3,3-bis(methylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]prop-2-en-1-one CAS Name: 3,3-bis(methylthio)-1-[4-(4-nitrophenoxy)phenyl]-2-propen-1-one IUPAC Name: 3,3-bis(methylsulfanyl)-1-[4-(4-nitrophenoxy)phenyl]prop-2-en-1-one Traditional Name: 3,3-bis(methylthio)-1-[4-(4-nitrophenoxy)phenyl]prop-2-en-1-one Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CSC(=CC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C17H15NO4S2/c1-23-17(24-2)11-16(19)12-3-7-14(8-4-12)22-15-9-5-13(6-10-15)18(20)21/h3-11H,1-2H3