N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H16FN5O3S MolecularWeight: 401.414743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])F

InChI

InChI=1S/C18H16FN5O3S/c1-11-7-12(3-5-14(11)19)9-20-17(25)13-4-6-16(15(8-13)24(26)27)28-18-22-21-10-23(18)2/h3-8,10H,9H2,1-2H3,(H,20,25)