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

Systemtic Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[5-methyl-4-(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=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C)C)[N+](=O)[O-]

InChI

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