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

Systemtic Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4CCCCC4

InChI

InChI=1S/C21H28N4OS/c1-2-25-20(17-9-4-3-5-10-17)22-23-21(25)27-15-19(26)24-13-12-16-8-6-7-11-18(16)14-24/h6-8,11,17H,2-5,9-10,12-15H2,1H3