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

Systemtic Name: 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinoxalin-6-yl-ethanamide Openeye Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-yl-acetamide CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]-N-(6-quinoxalinyl)acetamide IUPAC Name: 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-quinoxalin-6-ylacetamide Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]-N-quinoxalin-6-yl-acetamide Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7OS/c1-13(2)14-3-6-16(7-4-14)27-20(24-25-26-27)29-12-19(28)23-15-5-8-17-18(11-15)22-10-9-21-17/h3-11,13H,12H2,1-2H3,(H,23,28)