(2E)-2-[(4-fluorophenyl)-morpholin-4-yl-methylidene]-3-oxidanylidene-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile

Systemtic Name: (2E)-2-[(4-fluorophenyl)-morpholin-4-yl-methylidene]-3-oxidanylidene-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: (2E)-4-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(4-fluorophenyl)-morpholino-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[(4-fluorophenyl)-(4-morpholinyl)methylidene]-3-oxo-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]butanenitrile IUPAC Name: (2E)-2-[(4-fluorophenyl)-morpholin-4-ylmethylidene]-3-oxo-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: (E)-2-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-3-(4-fluorophenyl)-3-morpholino-acrylonitrile Formula: C26H24FN5O2S MolecularWeight: 489.564463

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C(=C(C2=CC=C(C=C2)F)N3CCOCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)/C(=C(\C2=CC=C(C=C2)F)/N3CCOCC3)/C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H24FN5O2S/c1-2-12-32-25(20-6-4-3-5-7-20)29-30-26(32)35-18-23(33)22(17-28)24(31-13-15-34-16-14-31)19-8-10-21(27)11-9-19/h2-11H,1,12-16,18H2/b24-22+