4-[2-[6-chloranyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-[6-chloranyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzenecarbonitrile Openeye Name: 4-[2-[6-chloro-2-thioxo-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile CAS Name: 4-[2-[6-chloro-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile IUPAC Name: 4-[2-[6-chloro-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile Traditional Name: 4-[2-[6-chloro-2-thioxo-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile Formula: C18H9ClF3N3S MolecularWeight: 391.79737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC=C1C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F)C#N

InChI

InChI=1S/C18H9ClF3N3S/c19-13-5-6-15-14(9-13)17(18(20,21)22,25-16(26)24-15)8-7-11-1-3-12(10-23)4-2-11/h1-6,9H,(H2,24,25,26)