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

Systemtic Name: N,N-dibutyl-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N,N-dibutyl-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-dibutyl-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-dibutyl-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N,N-dibutyl-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCCN(CCCC)C(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C19H27ClN4O2S/c1-4-6-10-24(11-7-5-2)17(25)13-27-19-21-18(22-23-19)15-12-14(20)8-9-16(15)26-3/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,22,23)