N-(3-fluoranyl-4-methyl-phenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-(3-fluoro-4-methylphenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-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:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC=NN3)F

InChI

InChI=1S/C16H12FN5O3S/c1-9-2-3-10(6-13(9)17)20-15(23)12-7-11(22(24)25)4-5-14(12)26-16-18-8-19-21-16/h2-8H,1H3,(H,20,23)(H,18,19,21)