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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H22N4OS/c1-3-6-15-18-17(20-19-15)23-12(2)16(22)21-10-9-13-7-4-5-8-14(13)11-21/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,18,19,20)