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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-(4-fluorobenzyl)acetamide Formula: C17H22FN5OS MolecularWeight: 363.452883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C17H22FN5OS/c18-13-8-6-12(7-9-13)10-23(14-4-2-1-3-5-14)15(24)11-25-17-20-16(19)21-22-17/h6-9,14H,1-5,10-11H2,(H3,19,20,21,22)