(5E)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5-(pyridin-3-ylmethylidene)imidazol-4-one

Systemtic Name: (5E)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5-(pyridin-3-ylmethylidene)imidazol-4-one Openeye Name: (5E)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-5-(3-pyridylmethylene)imidazol-4-one CAS Name: (5E)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-phenyl-5-(3-pyridinylmethylidene)-4-imidazolone IUPAC Name: (5E)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-phenyl-5-(pyridin-3-ylmethylidene)imidazol-4-one Traditional Name: (5E)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-phenyl-5-(3-pyridylmethylene)-2-imidazolin-4-one Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CC4=CN=CC=C4)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=N/C(=C/C4=CN=CC=C4)/C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S/c31-24(29-14-12-20-8-4-5-9-21(20)17-29)18-33-26-28-23(15-19-7-6-13-27-16-19)25(32)30(26)22-10-2-1-3-11-22/h1-11,13,15-16H,12,14,17-18H2/b23-15+