3,4-dihydro-1H-isoquinolin-2-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]methanone Formula: C22H18N4OS MolecularWeight: 386.46952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N4OS/c27-22(25-13-12-16-7-4-5-8-17(16)15-25)20-23-21(19-11-6-14-28-19)26(24-20)18-9-2-1-3-10-18/h1-11,14H,12-13,15H2