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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthyl)butyramide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS/c1-3-22(24(30)26-21-16-10-14-19-13-8-9-15-20(19)21)31-25-28-27-23(29(25)4-2)17-18-11-6-5-7-12-18/h5-16,22H,3-4,17H2,1-2H3,(H,26,30)