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

Systemtic Name: 4-[[4-azanyl-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C17H15FN6O4S MolecularWeight: 418.402203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C17H15FN6O4S/c18-12-3-5-13(6-4-12)28-8-15-21-22-17(23(15)20)29-9-11-2-1-10(16(19)25)7-14(11)24(26)27/h1-7H,8-9,20H2,(H2,19,25)