3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H24N4O2S/c1-2-29-24(21-13-18-8-4-5-9-19(18)14-22(21)30)26-27-25(29)32-16-23(31)28-12-11-17-7-3-6-10-20(17)15-28/h3-10,13-14,26H,2,11-12,15-16H2,1H3