3-[3-cyclopropyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CCC(=O)N)C4CC4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CCC(=O)N)C4CC4

InChI

InChI=1S/C20H25N5O2S/c21-17(26)9-12-25-18(15-7-8-15)22-23-20(25)28-13-14-3-5-16(6-4-14)19(27)24-10-1-2-11-24/h3-6,15H,1-2,7-13H2,(H2,21,26)