3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C23H20N6OS/c30-22(28-14-11-17-7-4-5-8-18(17)15-28)21-20(16-31-23-24-12-6-13-25-23)29(27-26-21)19-9-2-1-3-10-19/h1-10,12-13H,11,14-16H2