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

Systemtic Name: 4-tert-butyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4OS/c1-22(2,3)17-13-11-16(12-14-17)20(27)23-15-7-10-19-24-25-21(28-4)26(19)18-8-5-6-9-18/h11-14,18H,5-10,15H2,1-4H3,(H,23,27)