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

Systemtic Name: 4-(2-oxidanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-sulfanyl-benzenecarbonitrile Openeye Name: 4-(2-oxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)-2-sulfanyl-benzonitrile CAS Name: 2-mercapto-4-(2-oxo-6-spiro[1H-3,1-benzoxazine-4,1'-cyclohexane]yl)benzonitrile IUPAC Name: 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-benzonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC(=C(C=C4)C#N)S)NC(=O)O2

Isomeric SMILES

C1CCC2(CC1)C3=C(C=CC(=C3)C4=CC(=C(C=C4)C#N)S)NC(=O)O2

InChI

InChI=1S/C20H18N2O2S/c21-12-15-5-4-14(11-18(15)25)13-6-7-17-16(10-13)20(24-19(23)22-17)8-2-1-3-9-20/h4-7,10-11,25H,1-3,8-9H2,(H,22,23)