3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-4-fluoro-benzonitrile CAS Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-fluorobenzonitrile IUPAC Name: 3-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-4-fluorobenzonitrile Traditional Name: 3-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-4-fluoro-benzonitrile Formula: C17H13FN2OS MolecularWeight: 312.361323

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=CC(=C3)C#N)F)NC(=S)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=CC(=C3)C#N)F)NC(=S)O1)C

InChI

InChI=1S/C17H13FN2OS/c1-17(2)13-8-11(4-6-15(13)20-16(22)21-17)12-7-10(9-19)3-5-14(12)18/h3-8H,1-2H3,(H,20,22)