3-(4-nitrophenyl)-1-phenyl-2-(phenylmethylsulfanyl)prop-2-en-1-one

Systemtic Name: 3-(4-nitrophenyl)-1-phenyl-2-(phenylmethylsulfanyl)prop-2-en-1-one Openeye Name: 2-benzylsulfanyl-3-(4-nitrophenyl)-1-phenyl-prop-2-en-1-one CAS Name: 3-(4-nitrophenyl)-1-phenyl-2-(phenylmethylthio)-2-propen-1-one IUPAC Name: 2-benzylsulfanyl-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one Traditional Name: 2-(benzylthio)-3-(4-nitrophenyl)-1-phenyl-prop-2-en-1-one Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17NO3S/c24-22(19-9-5-2-6-10-19)21(27-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)23(25)26/h1-15H,16H2