N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-thioxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-sulfanylidene-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-thioxo-1H-quinazolin-2-yl)thio]acetamide Formula: C18H11F6N3OS2 MolecularWeight: 463.419859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=S)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=S)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6N3OS2/c19-17(20,21)9-5-10(18(22,23)24)7-11(6-9)25-14(28)8-30-16-26-13-4-2-1-3-12(13)15(29)27-16/h1-7H,8H2,(H,25,28)(H,26,27,29)