N-[2-[(5-chloranyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[(5-chloranyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-fluoro-benzamide CAS Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-fluorobenzamide Traditional Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]-3-fluoro-benzamide Formula: C23H18ClFN4OS MolecularWeight: 452.931623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC(=N2)Cl)SC3=CC=CC=C3NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC(=N2)Cl)SC3=CC=CC=C3NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H18ClFN4OS/c24-22-27-23(29(28-22)14-13-16-7-2-1-3-8-16)31-20-12-5-4-11-19(20)26-21(30)17-9-6-10-18(25)15-17/h1-12,15H,13-14H2,(H,26,30)