(5-methyl-1H-pyrazol-4-yl)-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (5-methyl-1H-pyrazol-4-yl)-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (5-methyl-1H-pyrazol-4-yl)-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (5-methyl-1H-pyrazol-4-yl)-[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: (5-methyl-1H-pyrazol-4-yl)-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (5-methyl-1H-pyrazol-4-yl)-[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)N2CCC3=C(C2)C=CC(=C3)SC

Isomeric SMILES

CC1=C(C=NN1)C(=O)N2CCC3=C(C2)C=CC(=C3)SC

InChI

InChI=1S/C15H17N3OS/c1-10-14(8-16-17-10)15(19)18-6-5-11-7-13(20-2)4-3-12(11)9-18/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17)