2-[[5-[[(4-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-13(27)14-3-7-17(8-4-14)23-19(28)12-29-20-25-24-18(26(20)2)11-22-16-9-5-15(21)6-10-16/h3-10,22H,11-12H2,1-2H3,(H,23,28)