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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1C)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4O2S/c1-15-12(19)8-21-13-17-16-11(18(13)2)7-20-10-5-3-9(14)4-6-10/h3-6H,7-8H2,1-2H3,(H,15,19)