[4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-(4-methoxyphenyl)sulfanyl-3-nitro-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[(4-methoxyphenyl)thio]-3-nitrophenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-(4-methoxyphenyl)sulfanyl-3-nitrophenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[(4-methoxyphenyl)thio]-3-nitro-phenyl]-pyrrolidino-methanone Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-24-14-5-7-15(8-6-14)25-17-9-4-13(12-16(17)20(22)23)18(21)19-10-2-3-11-19/h4-9,12H,2-3,10-11H2,1H3