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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-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=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

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