2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O4S/c1-13-5-4-6-16(9-13)29-11-18-22-23-20(24(18)3)30-12-19(26)21-17-10-15(25(27)28)8-7-14(17)2/h4-10H,11-12H2,1-3H3,(H,21,26)