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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NNC(=N1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N)SC1=NNC(=N1)COC2=CC=C(C=C2)Cl

InChI

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