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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-13-5-6-16(14(2)9-13)11-23(3)19(26)15-7-8-18(17(10-15)25(27)28)29-20-22-21-12-24(20)4/h5-10,12H,11H2,1-4H3