2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C17H11ClFN5OS MolecularWeight: 387.818543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=NC=NN4

InChI

InChI=1S/C17H11ClFN5OS/c18-12-5-3-6-13(19)11(12)8-26-17-22-14-7-2-1-4-10(14)15(25)24(17)16-20-9-21-23-16/h1-7,9H,8H2,(H,20,21,23)