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

Systemtic Name: 4-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C23H18ClN5O4S MolecularWeight: 495.93812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])COC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])COC4=CC=CC=C4Cl

InChI

InChI=1S/C23H18ClN5O4S/c24-18-8-4-5-9-20(18)33-13-21-26-27-23(28(21)17-6-2-1-3-7-17)34-14-16-11-10-15(22(25)30)12-19(16)29(31)32/h1-12H,13-14H2,(H2,25,30)