5-methyl-4-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-sulfanyl-benzenecarbonitrile

Systemtic Name: 5-methyl-4-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-sulfanyl-benzenecarbonitrile Openeye Name: 5-methyl-4-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-sulfanyl-benzonitrile CAS Name: 2-mercapto-5-methyl-4-(2-oxo-6-spiro[1H-3,1-benzoxazine-4,1'-cyclohexane]yl)benzonitrile IUPAC Name: 5-methyl-4-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-sulfanylbenzonitrile Traditional Name: 4-(2-ketospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-mercapto-5-methyl-benzonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#N)S)C2=CC3=C(C=C2)NC(=O)OC34CCCCC4

Isomeric SMILES

CC1=C(C=C(C(=C1)C#N)S)C2=CC3=C(C=C2)NC(=O)OC34CCCCC4

InChI

InChI=1S/C21H20N2O2S/c1-13-9-15(12-22)19(26)11-16(13)14-5-6-18-17(10-14)21(25-20(24)23-18)7-3-2-4-8-21/h5-6,9-11,26H,2-4,7-8H2,1H3,(H,23,24)