2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-isopropyl-acetamide CAS Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-propan-2-ylacetamide IUPAC Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-isopropyl-acetamide Formula: C20H28FN5O2S MolecularWeight: 421.532023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCCCC1)C(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N(C1CCCCC1)C(=O)CSC2=NN=C(N2N)COC3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN5O2S/c1-14(2)25(16-6-4-3-5-7-16)19(27)13-29-20-24-23-18(26(20)22)12-28-17-10-8-15(21)9-11-17/h8-11,14,16H,3-7,12-13,22H2,1-2H3