(E)-3-[3-chloranyl-4-(2-pyrrolidin-1-ylphenyl)sulfanyl-phenyl]-1-morpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-chloranyl-4-(2-pyrrolidin-1-ylphenyl)sulfanyl-phenyl]-1-morpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-3-[3-chloro-4-(2-pyrrolidin-1-ylphenyl)sulfanyl-phenyl]-1-morpholino-prop-2-en-1-one CAS Name: (E)-3-[3-chloro-4-[[2-(1-pyrrolidinyl)phenyl]thio]phenyl]-1-(4-morpholinyl)-2-propen-1-one IUPAC Name: (E)-3-[3-chloro-4-(2-pyrrolidin-1-ylphenyl)sulfanylphenyl]-1-morpholin-4-ylprop-2-en-1-one Traditional Name: (E)-3-[3-chloro-4-[(2-pyrrolidinophenyl)thio]phenyl]-1-morpholino-prop-2-en-1-one Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2SC3=C(C=C(C=C3)C=CC(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2SC3=C(C=C(C=C3)/C=C/C(=O)N4CCOCC4)Cl

InChI

InChI=1S/C23H25ClN2O2S/c24-19-17-18(8-10-23(27)26-13-15-28-16-14-26)7-9-21(19)29-22-6-2-1-5-20(22)25-11-3-4-12-25/h1-2,5-10,17H,3-4,11-16H2/b10-8+