3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-pyridyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-pyridyl]methanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H21N3O2S/c1-14-19(15(2)26-23-14)13-27-20-18(8-5-10-22-20)21(25)24-11-9-16-6-3-4-7-17(16)12-24/h3-8,10H,9,11-13H2,1-2H3