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

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(1-naphthyl)acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N5O2S/c1-2-29-17-12-10-16(11-13-17)21-25-26-22(27(21)23)30-14-20(28)24-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14,23H2,1H3,(H,24,28)