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

Systemtic Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3C

InChI

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