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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-(4-fluorobenzyl)acetamide Formula: C20H26FN5OS MolecularWeight: 403.516743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C20H26FN5OS/c21-16-10-6-14(7-11-16)12-25(17-4-2-1-3-5-17)18(27)13-28-20-24-23-19(26(20)22)15-8-9-15/h6-7,10-11,15,17H,1-5,8-9,12-13,22H2