3-[3-(furan-2-yl)-5-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(furan-2-yl)-5-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(2-furyl)-5-(2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(2-furanyl)-5-[[2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(furan-2-yl)-5-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(2-furyl)-5-[(2-keto-1-phenyl-2-pyrrolidino-ethyl)thio]-1,2,4-triazol-4-yl]propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)N)C4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CCC(=O)N)C4=CC=CO4

InChI

InChI=1S/C21H23N5O3S/c22-17(27)10-13-26-19(16-9-6-14-29-16)23-24-21(26)30-18(15-7-2-1-3-8-15)20(28)25-11-4-5-12-25/h1-3,6-9,14,18H,4-5,10-13H2,(H2,22,27)