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

Systemtic Name: 3-(2-sulfanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)benzenecarbonitrile Openeye Name: 3-(2-thioxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)benzonitrile CAS Name: 3-(2-sulfanylidene-6-spiro[1H-3,1-benzoxazine-4,1'-cyclohexane]yl)benzonitrile IUPAC Name: 3-(2-sulfanylidenespiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)benzonitrile Traditional Name: 3-(2-thioxospiro[1H-3,1-benzoxazine-4,1'-cyclohexane]-6-yl)benzonitrile Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2OS/c21-13-14-5-4-6-15(11-14)16-7-8-18-17(12-16)20(23-19(24)22-18)9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2,(H,22,24)