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

Systemtic Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C21H21N7OS2 MolecularWeight: 451.56774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NS2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N7OS2/c1-21(2,3)15-11-9-14(10-12-15)18-23-19(25-31-18)22-17(29)13-30-20-24-26-27-28(20)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,25,29)