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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4OS/c24-17(23-11-10-14-6-4-5-9-16(14)12-23)13-25-19-20-18(21-22-19)15-7-2-1-3-8-15/h1-9H,10-13H2,(H,20,21,22)