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

Systemtic Name: 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H14ClN5OS MolecularWeight: 311.79046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)CNC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN5OS/c1-18-11(16-17-12(18)20-7-10(14)19)6-15-9-4-2-8(13)3-5-9/h2-5,15H,6-7H2,1H3,(H2,14,19)