N-aminocarbonyl-3-methyl-2-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-carbamoyl-3-methyl-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-carbamoyl-3-methyl-2-[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-carbamoyl-2-[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C18H23N7O3S MolecularWeight: 417.48532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=N2)CN3CCCC3=O

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=N2)CN3CCCC3=O

InChI

InChI=1S/C18H23N7O3S/c1-11(2)15(16(27)21-17(19)28)29-18-23-22-13(10-24-9-5-7-14(24)26)25(18)12-6-3-4-8-20-12/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3,(H3,19,21,27,28)