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

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-[(cyclohexylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylcarbamoyl)acetamide Formula: C17H21FN6O2S MolecularWeight: 392.451043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H21FN6O2S/c18-12-6-4-5-11(9-12)15-22-23-17(24(15)19)27-10-14(25)21-16(26)20-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10,19H2,(H2,20,21,25,26)