3-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H18FN5OS MolecularWeight: 395.453223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC(=CC=C3)F)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H18FN5OS/c21-17-5-2-6-18(12-17)26-19(25-7-9-27-10-8-25)23-24-20(26)28-14-16-4-1-3-15(11-16)13-22/h1-6,11-12H,7-10,14H2