N-[3,5-bis(chloranyl)pyridin-2-yl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichloro-2-pyridyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dichloro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichloropyridin-2-yl)acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dichloro-2-pyridyl)acetamide Formula: C22H23Cl2N5OS MolecularWeight: 476.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N5OS/c1-5-10-29-20(14-6-8-15(9-7-14)22(2,3)4)27-28-21(29)31-13-18(30)26-19-17(24)11-16(23)12-25-19/h5-9,11-12H,1,10,13H2,2-4H3,(H,25,26,30)