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

Systemtic Name: 4-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide Openeye Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide CAS Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylbutanamide Traditional Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-N,N-diethyl-butyramide Formula: C17H23ClN4O2S MolecularWeight: 382.90812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C17H23ClN4O2S/c1-4-22(5-2)15(23)7-6-10-25-17-19-16(20-21-17)13-11-12(18)8-9-14(13)24-3/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)