4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H18FN5OS MolecularWeight: 347.410423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCCCC#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCCCC#N

InChI

InChI=1S/C16H18FN5OS/c17-13-4-3-5-14(12-13)22-15(21-7-9-23-10-8-21)19-20-16(22)24-11-2-1-6-18/h3-5,12H,1-2,7-11H2