1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-2-13-26-21(18-9-4-3-5-10-18)23-24-22(26)28-16-20(27)25-14-12-17-8-6-7-11-19(17)15-25/h2-11H,1,12-16H2