N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]pyrazole-4-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]pyrazole-4-carboxamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6OS/c1-30-22-26-25-20(28(22)19-10-5-6-11-19)12-7-13-23-21(29)18-14-24-27(16-18)15-17-8-3-2-4-9-17/h2-4,8-9,14,16,19H,5-7,10-13,15H2,1H3,(H,23,29)