3-(1-ethyl-4,4-dimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(1-ethyl-4,4-dimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-(1-ethyl-4,4-dimethyl-2-thioxo-3,1-benzoxazin-6-yl)-5-fluoro-benzonitrile CAS Name: 3-(1-ethyl-4,4-dimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile IUPAC Name: 3-(1-ethyl-4,4-dimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile Traditional Name: 3-(1-ethyl-4,4-dimethyl-2-thioxo-3,1-benzoxazin-6-yl)-5-fluoro-benzonitrile Formula: C19H17FN2OS MolecularWeight: 340.414483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(OC1=S)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(OC1=S)(C)C

InChI

InChI=1S/C19H17FN2OS/c1-4-22-17-6-5-13(10-16(17)19(2,3)23-18(22)24)14-7-12(11-21)8-15(20)9-14/h5-10H,4H2,1-3H3