4,6-dimethyl-2-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3O2S/c1-16-12-17(2)26-24(19(16)13-25)30-15-23(28)27-20-10-6-7-11-22(20)29-14-21(27)18-8-4-3-5-9-18/h3-12,21H,14-15H2,1-2H3/t21-/m1/s1