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

Systemtic Name: 4-butoxy-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Openeye Name: 4-butoxy-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide CAS Name: 4-butoxy-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 4-butoxy-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Traditional Name: 4-butoxy-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC

InChI

InChI=1S/C22H32N4O2S/c1-3-4-16-28-19-13-11-17(12-14-19)21(27)23-15-7-10-20-24-25-22(29-2)26(20)18-8-5-6-9-18/h11-14,18H,3-10,15-16H2,1-2H3,(H,23,27)