1-morpholin-4-yl-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-morpholin-4-yl-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-morpholino-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-(4-morpholinyl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-morpholino-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]ethanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c25-21(22-9-11-28-12-10-22)15-29-20-14-23(19-4-2-1-3-18(19)20)13-16-5-7-17(8-6-16)24(26)27/h1-8,14H,9-13,15H2