3-(2-morpholin-4-ylethylsulfanyl)-3-(4-nitrophenyl)-1-phenyl-propan-1-one hydrochloride

Systemtic Name: 3-(2-morpholin-4-ylethylsulfanyl)-3-(4-nitrophenyl)-1-phenyl-propan-1-one hydrochloride Openeye Name: 3-(2-morpholinoethylsulfanyl)-3-(4-nitrophenyl)-1-phenyl-propan-1-one hydrochloride CAS Name: 3-[2-(4-morpholinyl)ethylthio]-3-(4-nitrophenyl)-1-phenyl-1-propanone hydrochloride IUPAC Name: 3-(2-morpholin-4-ylethylsulfanyl)-3-(4-nitrophenyl)-1-phenylpropan-1-one hydrochloride Traditional Name: 3-(2-morpholinoethylthio)-3-(4-nitrophenyl)-1-phenyl-propan-1-one hydrochloride Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1COCCN1CCSC(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H24N2O4S.ClH/c24-20(17-4-2-1-3-5-17)16-21(18-6-8-19(9-7-18)23(25)26)28-15-12-22-10-13-27-14-11-22;/h1-9,21H,10-16H2;1H