2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: N-benzyl-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-phenethyl-acetamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)N(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N5OS/c32-24(20-33-26-28-27-25(29-16-7-8-17-29)31(26)23-13-14-23)30(19-22-11-5-2-6-12-22)18-15-21-9-3-1-4-10-21/h1-6,9-12,23H,7-8,13-20H2