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

Systemtic Name: 4-[[4-(3-chloranyl-2-methyl-phenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide Openeye Name: 4-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-butanamide CAS Name: 4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylbutanamide Traditional Name: 4-[[4-(3-chloro-2-methyl-phenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-butyramide Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NN=C(N1C2=C(C(=CC=C2)Cl)C)C3=CC=NC=C3

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NN=C(N1C2=C(C(=CC=C2)Cl)C)C3=CC=NC=C3

InChI

InChI=1S/C22H26ClN5OS/c1-4-27(5-2)20(29)10-7-15-30-22-26-25-21(17-11-13-24-14-12-17)28(22)19-9-6-8-18(23)16(19)3/h6,8-9,11-14H,4-5,7,10,15H2,1-3H3