2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinoxalin-6-yl-ethanamide

Systemtic Name: 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinoxalin-6-yl-ethanamide Openeye Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-yl-acetamide CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-N-(6-quinoxalinyl)acetamide IUPAC Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-ylacetamide Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-N-quinoxalin-6-yl-acetamide Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H21N7OS/c1-2-3-4-15-5-8-17(9-6-15)28-21(25-26-27-28)30-14-20(29)24-16-7-10-18-19(13-16)23-12-11-22-18/h5-13H,2-4,14H2,1H3,(H,24,29)