N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]quinoline-4-carboxamide CAS Name: N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]cinchoninamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)N4C(=NN=N4)SC

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)N4C(=NN=N4)SC

InChI

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