1-[2,2-dimethyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinolin-1-yl]ethanone

Systemtic Name: 1-[2,2-dimethyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinolin-1-yl]ethanone Openeye Name: 1-[2,2-dimethyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1-quinolyl]ethanone CAS Name: 1-[2,2-dimethyl-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1-quinolinyl]ethanone IUPAC Name: 1-[2,2-dimethyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinolin-1-yl]ethanone Traditional Name: 1-[2,2-dimethyl-4-[[(1-phenyltetrazol-5-yl)thio]methyl]-1-quinolyl]ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-15(27)25-19-12-8-7-11-18(19)16(13-21(25,2)3)14-28-20-22-23-24-26(20)17-9-5-4-6-10-17/h4-13H,14H2,1-3H3