N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-pyrazol-1-yl-benzamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6OS/c1-29-21-25-24-19(27(21)18-6-2-3-7-18)8-4-13-22-20(28)16-9-11-17(12-10-16)26-15-5-14-23-26/h5,9-12,14-15,18H,2-4,6-8,13H2,1H3,(H,22,28)