2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H25N5O2S/c29-20(18-12-19(24-13-18)22(30)27-10-4-5-11-27)15-31-23-26-25-21(17-8-9-17)28(23)14-16-6-2-1-3-7-16/h1-3,6-7,12-13,17,24H,4-5,8-11,14-15H2