(1-methylimidazol-2-yl)-[2-(phenylmethylsulfanyl)quinolin-4-yl]methanone

Systemtic Name: (1-methylimidazol-2-yl)-[2-(phenylmethylsulfanyl)quinolin-4-yl]methanone Openeye Name: (2-benzylsulfanyl-4-quinolyl)-(1-methylimidazol-2-yl)methanone CAS Name: (1-methyl-2-imidazolyl)-[2-(phenylmethylthio)-4-quinolinyl]methanone IUPAC Name: (2-benzylsulfanylquinolin-4-yl)-(1-methylimidazol-2-yl)methanone Traditional Name: [2-(benzylthio)-4-quinolyl]-(1-methylimidazol-2-yl)methanone Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS/c1-24-12-11-22-21(24)20(25)17-13-19(23-18-10-6-5-9-16(17)18)26-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3