2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4CC4

InChI

InChI=1S/C18H22N4OS/c1-2-22-17(14-7-8-14)19-20-18(22)24-12-16(23)21-10-9-13-5-3-4-6-15(13)11-21/h3-6,14H,2,7-12H2,1H3