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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)N)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)N)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4O2S/c1-18-12(8-20-10-4-2-9(14)3-5-10)16-17-13(18)21-7-6-11(15)19/h2-5H,6-8H2,1H3,(H2,15,19)