[4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(2-chlorophenyl)methylthio]-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(2-chlorobenzyl)thio]-3-nitro-phenyl]-pyrrolidino-methanone Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O3S/c19-15-6-2-1-5-14(15)12-25-17-8-7-13(11-16(17)21(23)24)18(22)20-9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2