5,7-dimethyl-2-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 5,7-dimethyl-2-[[1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5,7-dimethyl-1H-quinolin-4-one CAS Name: 5,7-dimethyl-2-[[[1-(phenylmethyl)-2-imidazolyl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 2-[(1-benzylimidazol-2-yl)sulfanylmethyl]-5,7-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[(1-benzylimidazol-2-yl)thio]methyl]-5,7-dimethyl-4-quinolone Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=CC2=O)CSC3=NC=CN3CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=CC2=O)CSC3=NC=CN3CC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3OS/c1-15-10-16(2)21-19(11-15)24-18(12-20(21)26)14-27-22-23-8-9-25(22)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,24,26)