N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(pyrrolidinomethyl)benzyl]-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)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

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