3-[3,5-bis(trifluoromethyl)phenyl]-2-(3-chloranyl-1-benzothiophen-2-yl)-6-methyl-quinazolin-4-one

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(3-chloranyl-1-benzothiophen-2-yl)-6-methyl-quinazolin-4-one Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(3-chlorobenzothiophen-2-yl)-6-methyl-quinazolin-4-one CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(3-chloro-1-benzothiophen-2-yl)-6-methyl-4-quinazolinone IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(3-chloro-1-benzothiophen-2-yl)-6-methylquinazolin-4-one Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-(3-chlorobenzothiophen-2-yl)-6-methyl-quinazolin-4-one Formula: C25H13ClF6N2OS MolecularWeight: 538.891939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H13ClF6N2OS/c1-12-6-7-18-17(8-12)23(35)34(15-10-13(24(27,28)29)9-14(11-15)25(30,31)32)22(33-18)21-20(26)16-4-2-3-5-19(16)36-21/h2-11H,1H3