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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-3-24-18(17-9-6-12-26-17)21-22-20(24)27-14(2)19(25)23-11-10-15-7-4-5-8-16(15)13-23/h4-9,12,14H,3,10-11,13H2,1-2H3