2-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]-1,3-dithiolane

Systemtic Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]-1,3-dithiolane Openeye Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitro-phenyl]-1,3-dithiolane CAS Name: 2-[2-[(4-chlorophenyl)methylthio]-5-nitrophenyl]-1,3-dithiolane IUPAC Name: 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-nitrophenyl]-1,3-dithiolane Traditional Name: 2-[2-[(4-chlorobenzyl)thio]-5-nitro-phenyl]-1,3-dithiolane Formula: C16H14ClNO2S3 MolecularWeight: 383.93586

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CSC(S1)C2=C(C=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClNO2S3/c17-12-3-1-11(2-4-12)10-23-15-6-5-13(18(19)20)9-14(15)16-21-7-8-22-16/h1-6,9,16H,7-8,10H2