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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthyl)propanamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthyl)propionamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C21H22N4OS/c1-13(20(26)22-18-8-4-6-14-5-2-3-7-17(14)18)27-21-24-23-19(15-9-10-15)25(21)16-11-12-16/h2-8,13,15-16H,9-12H2,1H3,(H,22,26)