2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(5-quinolyl)propanamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-quinolin-5-ylpropanamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NC3=CC=CC4=C3C=CC=N4)C

InChI

InChI=1S/C21H20N6OS/c1-13-9-10-16(12-14(13)2)27-21(24-25-26-27)29-15(3)20(28)23-19-8-4-7-18-17(19)6-5-11-22-18/h4-12,15H,1-3H3,(H,23,28)