2-[(E)-2-(4-chlorophenyl)ethenyl]-1,5-dinitro-3-(phenylmethylsulfanyl)benzene

Systemtic Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,5-dinitro-3-(phenylmethylsulfanyl)benzene Openeye Name: 1-benzylsulfanyl-2-[(E)-2-(4-chlorophenyl)vinyl]-3,5-dinitro-benzene CAS Name: 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,5-dinitro-3-(phenylmethylthio)benzene IUPAC Name: 1-benzylsulfanyl-2-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dinitrobenzene Traditional Name: 1-(benzylthio)-2-[(E)-2-(4-chlorophenyl)vinyl]-3,5-dinitro-benzene Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C=CC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2/C=C/C3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O4S/c22-17-9-6-15(7-10-17)8-11-19-20(24(27)28)12-18(23(25)26)13-21(19)29-14-16-4-2-1-3-5-16/h1-13H,14H2/b11-8+