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

Systemtic Name: 2-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]-N-(isoamylcarbamoyl)acetamide Formula: C17H23FN6O2S MolecularWeight: 394.466923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1N)CC2=CC=CC=C2F

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1N)CC2=CC=CC=C2F

InChI

InChI=1S/C17H23FN6O2S/c1-11(2)7-8-20-16(26)21-15(25)10-27-17-23-22-14(24(17)19)9-12-5-3-4-6-13(12)18/h3-6,11H,7-10,19H2,1-2H3,(H2,20,21,25,26)