[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: morpholino-[3-nitro-4-(p-tolylsulfanyl)phenyl]methanone CAS Name: [4-[(4-methylphenyl)thio]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: morpholino-[3-nitro-4-(p-tolylthio)phenyl]methanone Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S/c1-13-2-5-15(6-3-13)25-17-7-4-14(12-16(17)20(22)23)18(21)19-8-10-24-11-9-19/h2-7,12H,8-11H2,1H3