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

Systemtic Name: 3-[2-[6-chloranyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzenecarbonitrile Openeye Name: 3-[2-[6-chloro-2-thioxo-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile CAS Name: 3-[2-[6-chloro-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile IUPAC Name: 3-[2-[6-chloro-2-sulfanylidene-4-(trifluoromethyl)-1,3-dihydroquinazolin-4-yl]ethynyl]benzonitrile Traditional Name: 3-[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(=C1)C#N)C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F

Isomeric SMILES

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

InChI

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