5-chloranyl-N-[[1-[4-(2-oxidanylidenepyridin-1-yl)-2-(3-oxidanylpropylamino)phenyl]-1,2,3-triazol-4-yl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[[1-[4-(2-oxidanylidenepyridin-1-yl)-2-(3-oxidanylpropylamino)phenyl]-1,2,3-triazol-4-yl]methyl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[[1-[2-(3-hydroxypropylamino)-4-(2-oxo-1-pyridyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[[1-[2-(3-hydroxypropylamino)-4-(2-oxo-1-pyridinyl)phenyl]-4-triazolyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[[1-[2-(3-hydroxypropylamino)-4-(2-oxopyridin-1-yl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[[1-[2-(3-hydroxypropylamino)-4-(2-keto-1-pyridyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide Formula: C22H21ClN6O3S MolecularWeight: 484.95854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C=C1)C2=CC(=C(C=C2)N3C=C(N=N3)CNC(=O)C4=CC=C(S4)Cl)NCCCO

Isomeric SMILES

C1=CC(=O)N(C=C1)C2=CC(=C(C=C2)N3C=C(N=N3)CNC(=O)C4=CC=C(S4)Cl)NCCCO

InChI

InChI=1S/C22H21ClN6O3S/c23-20-8-7-19(33-20)22(32)25-13-15-14-29(27-26-15)18-6-5-16(12-17(18)24-9-3-11-30)28-10-2-1-4-21(28)31/h1-2,4-8,10,12,14,24,30H,3,9,11,13H2,(H,25,32)