[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone

Systemtic Name: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone Openeye Name: [2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone CAS Name: [2-(3-pyridinylmethylthio)-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone IUPAC Name: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(9H-xanthen-9-yl)methanone Traditional Name: [2-(3-pyridylmethylthio)-2-imidazolin-1-yl]-(9H-xanthen-9-yl)methanone Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C23H19N3O2S/c27-22(26-13-12-25-23(26)29-15-16-6-5-11-24-14-16)21-17-7-1-3-9-19(17)28-20-10-4-2-8-18(20)21/h1-11,14,21H,12-13,15H2