2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23N5OS/c24-28-21(15-19-11-6-10-18-9-4-5-12-20(18)19)26-27-23(28)30-16-22(29)25-14-13-17-7-2-1-3-8-17/h1-12H,13-16,24H2,(H,25,29)