4-(8-bromanyl-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(8-bromanyl-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(8-bromo-4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-2-fluoro-benzonitrile CAS Name: 4-(8-bromo-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-fluorobenzonitrile IUPAC Name: 4-(8-bromo-4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-2-fluorobenzonitrile Traditional Name: 4-(8-bromo-4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-2-fluoro-benzonitrile Formula: C17H12BrFN2OS MolecularWeight: 391.257383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2OS/c1-17(2)12-5-11(6-13(18)15(12)21-16(23)22-17)9-3-4-10(8-20)14(19)7-9/h3-7H,1-2H3,(H,21,23)