2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinoxalin-6-yl-propanamide

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinoxalin-6-yl-propanamide Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-yl-propanamide CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]-N-(6-quinoxalinyl)propanamide IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-ylpropanamide Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]-N-quinoxalin-6-yl-propionamide Formula: C21H21N7OS MolecularWeight: 419.50274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7OS/c1-13(2)15-4-7-17(8-5-15)28-21(25-26-27-28)30-14(3)20(29)24-16-6-9-18-19(12-16)23-11-10-22-18/h4-14H,1-3H3,(H,24,29)