N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(pyrrolidine-1-carbonyl)benzyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C22H23N5O2S/c28-20(18-8-6-16(7-9-18)14-30-22-24-15-25-26-22)23-13-17-4-3-5-19(12-17)21(29)27-10-1-2-11-27/h3-9,12,15H,1-2,10-11,13-14H2,(H,23,28)(H,24,25,26)