6-chloranyl-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione

Systemtic Name: 6-chloranyl-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Openeye Name: 6-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione CAS Name: 6-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione IUPAC Name: 6-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Traditional Name: 6-chloro-4-[2-(3-methoxyphenyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Formula: C18H12ClF3N2OS MolecularWeight: 396.81389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F

InChI

InChI=1S/C18H12ClF3N2OS/c1-25-13-4-2-3-11(9-13)7-8-17(18(20,21)22)14-10-12(19)5-6-15(14)23-16(26)24-17/h2-6,9-10H,1H3,(H2,23,24,26)