4-[4-(4-fluorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)butyl]benzenecarbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)butyl]benzonitrile CAS Name: 4-[4-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)butyl]benzonitrile IUPAC Name: 4-[4-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)butyl]benzonitrile Traditional Name: 4-[4-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)butyl]benzonitrile Formula: C19H17FN4O MolecularWeight: 336.362883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(C2=CC=C(C=C2)C#N)N3C=NC=N3)O)F

Isomeric SMILES

C1=CC(=CC=C1CCC(C(C2=CC=C(C=C2)C#N)N3C=NC=N3)O)F

InChI

InChI=1S/C19H17FN4O/c20-17-8-3-14(4-9-17)5-10-18(25)19(24-13-22-12-23-24)16-6-1-15(11-21)2-7-16/h1-4,6-9,12-13,18-19,25H,5,10H2