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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-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:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)NC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)NC)Cl

InChI

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