N-tert-butyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21Cl2N5OS MolecularWeight: 450.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)C3=CN=CC=C3

InChI

InChI=1S/C20H21Cl2N5OS/c1-12(18(28)24-20(2,3)4)29-19-26-25-17(13-6-5-9-23-11-13)27(19)14-7-8-15(21)16(22)10-14/h5-12H,1-4H3,(H,24,28)