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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS/c1-14(19(25)24-12-11-15-7-5-6-10-17(15)13-24)26-20-21-18(22-23-20)16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,21,22,23)