2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C13H11N7OS MolecularWeight: 313.33774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C13H11N7OS/c21-11(16-12-14-7-4-8-15-12)9-22-13-17-18-19-20(13)10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,16,21)