1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C23H25N5O2S/c29-21(27-11-10-18-6-4-5-7-19(18)16-27)17-31-23-25-24-22(26-12-14-30-15-13-26)28(23)20-8-2-1-3-9-20/h1-9H,10-17H2