3-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[[4-azanyl-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(benzylcarbamoyl)propanamide CAS Name: 3-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 3-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(benzylcarbamoyl)propanamide Traditional Name: 3-[[4-amino-5-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thio]-N-(benzylcarbamoyl)propionamide Formula: C20H21FN6O2S MolecularWeight: 428.483143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NN=C(N2N)CC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NN=C(N2N)CC3=CC=CC=C3F

InChI

InChI=1S/C20H21FN6O2S/c21-16-9-5-4-8-15(16)12-17-25-26-20(27(17)22)30-11-10-18(28)24-19(29)23-13-14-6-2-1-3-7-14/h1-9H,10-13,22H2,(H2,23,24,28,29)