3-[5-chloranyl-4-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[5-chloranyl-4-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl]benzenecarbonitrile Openeye Name: 3-[5-chloro-4-(4-fluorophenyl)-2-thioxo-1,4-dihydro-3,1-benzoxazin-6-yl]benzonitrile CAS Name: 3-[5-chloro-4-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl]benzonitrile IUPAC Name: 3-[5-chloro-4-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydro-3,1-benzoxazin-6-yl]benzonitrile Traditional Name: 3-[5-chloro-4-(4-fluorophenyl)-2-thioxo-1,4-dihydro-3,1-benzoxazin-6-yl]benzonitrile Formula: C21H12ClFN2OS MolecularWeight: 394.849183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(C3=C(C=C2)NC(=S)OC3C4=CC=C(C=C4)F)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(C3=C(C=C2)NC(=S)OC3C4=CC=C(C=C4)F)Cl)C#N

InChI

InChI=1S/C21H12ClFN2OS/c22-19-16(14-3-1-2-12(10-14)11-24)8-9-17-18(19)20(26-21(27)25-17)13-4-6-15(23)7-5-13/h1-10,20H,(H,25,27)