3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H8F6N2OS MolecularWeight: 390.302939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H8F6N2OS/c17-15(18,19)8-5-6-10(16(20,21)22)12(7-8)24-13(25)9-3-1-2-4-11(9)23-14(24)26/h1-7H,(H,23,26)