4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c28-22(24-20-8-2-1-3-9-20)19-13-10-18(11-14-19)16-29-23-25-21(26-27-23)15-12-17-6-4-5-7-17/h1-3,8-11,13-14,17H,4-7,12,15-16H2,(H,24,28)(H,25,26,27)