N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-phenyl-2-pyrrolidino-ethyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(19-10-8-17(9-11-19)15-29-22-24-16-25-26-22)23-14-20(27-12-4-5-13-27)18-6-2-1-3-7-18/h1-3,6-11,16,20H,4-5,12-15H2,(H,23,28)(H,24,25,26)