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

Systemtic Name: 2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N5O2S/c22-26-19(13-28-18-8-2-1-3-9-18)24-25-21(26)29-14-20(27)23-17-11-10-15-6-4-5-7-16(15)12-17/h1-12H,13-14,22H2,(H,23,27)