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

Systemtic Name: 2-[[4-azanyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)propionamide Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5OS/c1-13(20(28)24-18-8-4-6-14-5-2-3-7-17(14)18)29-21-26-25-19(27(21)23)15-9-11-16(22)12-10-15/h2-13H,23H2,1H3,(H,24,28)