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

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)propionamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5OS/c1-13(20(28)24-18-12-6-8-14-7-2-3-9-15(14)18)29-21-26-25-19(27(21)23)16-10-4-5-11-17(16)22/h2-13H,23H2,1H3,(H,24,28)