N-[2,6-di(propan-2-yl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide Openeye Name: N-(2,6-diisopropylphenyl)-4-(3-pyridylmethylsulfanyl)benzamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-4-(3-pyridinylmethylthio)benzamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide Traditional Name: N-(2,6-diisopropylphenyl)-4-(3-pyridylmethylthio)benzamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C25H28N2OS/c1-17(2)22-8-5-9-23(18(3)4)24(22)27-25(28)20-10-12-21(13-11-20)29-16-19-7-6-14-26-15-19/h5-15,17-18H,16H2,1-4H3,(H,27,28)