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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N7OS/c1-22(2,3)18-14-19(28(25-18)16-10-6-4-7-11-16)23-20(30)15-31-21-24-26-27-29(21)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,23,30)