N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C21H22FN5OS/c22-16-6-8-18(9-7-16)27-20(15-10-12-23-13-11-15)25-26-21(27)29-14-19(28)24-17-4-2-1-3-5-17/h6-13,17H,1-5,14H2,(H,24,28)