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

Systemtic Name: 2-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-amino-5-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C19H19N7OS MolecularWeight: 393.46546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2N)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C19H19N7OS/c1-12-9-13(2)26(24-12)18-22-23-19(25(18)20)28-11-17(27)21-16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11,20H2,1-2H3,(H,21,27)