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

Systemtic Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H21FN4S MolecularWeight: 392.492343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4S/c23-20-9-5-4-8-19(20)21-25-26-22(27(21)18-6-2-1-3-7-18)28-15-17-12-10-16(14-24)11-13-17/h4-5,8-13,18H,1-3,6-7,15H2