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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

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