2-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(4,4-diphenyl-3,1-benzoxazin-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C29H23N3OS MolecularWeight: 461.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NC3=CC=CC=C3C(O2)(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H23N3OS/c1-20-17-21(2)31-28(24(20)18-30)34-19-27-32-26-16-10-9-15-25(26)29(33-27,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-17H,19H2,1-2H3