3-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCC(=O)N

InChI

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