3-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-[(2-chloro-4-fluoro-phenyl)methyl]-1,2,4-triazol-3-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-(2-chloro-4-fluoro-benzyl)-1,2,4-triazol-3-yl]-2-thioxo-1H-quinazolin-4-one Formula: C17H11ClFN5OS MolecularWeight: 387.818543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=NN(C=N3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=NN(C=N3)CC4=C(C=C(C=C4)F)Cl

InChI

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