N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2-dihydroacenaphthylene-5-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]acenaphthene-5-carboxamide Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)NC4=CC=C(C=C4)SCC5=CN=CC=C5

InChI

InChI=1S/C25H20N2OS/c28-25(23-13-8-19-7-6-18-4-1-5-22(23)24(18)19)27-20-9-11-21(12-10-20)29-16-17-3-2-14-26-15-17/h1-5,8-15H,6-7,16H2,(H,27,28)