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

Systemtic Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-12-8-9-15(16(10-12)24(26)27)20-17(25)11-28-19-22-21-18(23(19)3)14-7-5-4-6-13(14)2/h4-10H,11H2,1-3H3,(H,20,25)