4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C11H9F3N6O3S MolecularWeight: 362.28777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=NN=C(N2N)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=NN=C(N2N)C(F)(F)F

InChI

InChI=1S/C11H9F3N6O3S/c12-11(13,14)9-17-18-10(19(9)16)24-4-6-2-1-5(8(15)21)3-7(6)20(22)23/h1-3H,4,16H2,(H2,15,21)