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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(4-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorobenzyl)-N-methyl-acetamide Formula: C15H18FN5OS MolecularWeight: 335.399723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C15H18FN5OS/c1-20(8-10-2-6-12(16)7-3-10)13(22)9-23-15-19-18-14(21(15)17)11-4-5-11/h2-3,6-7,11H,4-5,8-9,17H2,1H3