N-[3,5-bis(chloranyl)pyridin-2-yl]-2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-[3,5-bis(chloranyl)pyridin-2-yl]-2-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichloro-2-pyridyl)propanamide CAS Name: N-(3,5-dichloro-2-pyridinyl)-2-[[5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichloropyridin-2-yl)propanamide Traditional Name: 2-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dichloro-2-pyridyl)propionamide Formula: C22H19Cl2N5O2S MolecularWeight: 488.38956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SC(C)C(=O)NC4=C(C=C(C=N4)Cl)Cl

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SC(C)C(=O)NC4=C(C=C(C=N4)Cl)Cl

InChI

InChI=1S/C22H19Cl2N5O2S/c1-13-17(8-9-31-13)20-27-28-22(29(20)12-15-6-4-3-5-7-15)32-14(2)21(30)26-19-18(24)10-16(23)11-25-19/h3-11,14H,12H2,1-2H3,(H,25,26,30)