N-[(2-fluorophenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-[(2-fluorophenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-[(2-fluorophenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-[(2-fluorophenyl)methyl]-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-(2-fluorobenzyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C16H12FN5O3S MolecularWeight: 373.361583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3)F

InChI

InChI=1S/C16H12FN5O3S/c17-13-4-2-1-3-10(13)8-18-15(23)12-7-11(22(24)25)5-6-14(12)26-16-19-9-20-21-16/h1-7,9H,8H2,(H,18,23)(H,19,20,21)