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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O2S/c1-7-4-8(2-3-9(7)13)19-5-11-15-12(17-16-11)20-6-10(14)18/h2-4H,5-6H2,1H3,(H2,14,18)(H,15,16,17)