2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthyl)butyramide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C25H24N4OS/c1-2-22(24(30)26-21-14-8-10-17-9-6-7-13-20(17)21)31-25-28-27-23(18-15-16-18)29(25)19-11-4-3-5-12-19/h3-14,18,22H,2,15-16H2,1H3,(H,26,30)